Carmofur

C₁₁H₁₆FN₃O₃CAS 61422-45-5257.27 g/mol

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Aryl halide Phenol

Properties

Molecular formula: C₁₁H₁₆FN₃O₃
Molar mass: 257.27 g/mol
Exact mass: 257.1176 Da
Melting point: 110–111 °C
logP: 1.43Crippen estimate
Polar surface area: 87.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 5

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H361 Suspected of damaging fertility or the unborn child100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, P501

Identifiers

CAS number

61422-45-5

SMILES

CCCCCCN=C(O)n1cc(F)c(O)nc1=O

InChIKey

AOCCBINRVIKJHY-UHFFFAOYSA-N

InChI

InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)

Weigh it out

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Names and synonyms

8 names

1(2H)-Pyrimidinecarboxamide, 5-fluoro-N-hexyl-3,4-dihydro-2,4-dioxo-
5-Fluoro-N-hexyl-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinecarboxamide
1-(Hexylcarbamoyl)-5-fluorouracil
1-(n-Hexylcarbamoyl)-5-fluorouracil
HCFU
1-(Hexylcarbamyl)-5-fluorouracil
Mifurol
Yamaful

Work with Carmofur

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tegafur17902-23-738 % similar Floxuridine50-91-935 % similar Doxifluridine3094-09-534 % similar Capecitabine154361-50-934 % similar Benomyl17804-35-233 % similar 5-Fluorouridine316-46-133 % similar 2′,3′-Di-O-acetyl-5′-deoxy-5-fluoro-N4-(pentyloxycarbonyl)cytidine162204-20-832 % similar 3-Fluoro-4-N-octyloxybenzoic acid326-78-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook