chempirical

1-Cyano-3-phenylurea

C8H7N3OCAS 41834-91-7161.16 g/mol

Open in Covalent MOL file
NHOHNN
NitrileUrea

Properties

Molecular formula
C8H7N3O
Molar mass
161.16 g/mol
Exact mass
161.0589 Da
logP
1.29Crippen estimate
Polar surface area
64.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
41834-91-7
SMILES
C1=CC=C(C=C1)NC(=O)NC#N
InChIKey
ZKPYMLIAAZXJGP-UHFFFAOYSA-N
InChI
InChI=1S/C8H7N3O/c9-6-10-8(12)11-7-4-2-1-3-5-7/h1-5H,(H2,10,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Urea, N-cyano-N'-phenyl-
  • 3-Phenyl-1-ureidonitrile
  • N-Cyano-N'-phenylurea
  • 3-Cyano-1-phenylurea
  • N-Cyano-N'-phenyl urea

Work with 1-Cyano-3-phenylurea

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

Oxanilide620-81-548 % similar Diphenylguanidine102-06-739 % similar N,N′,N′′-Triphenylguanidine101-01-935 % similar Phenylthiocarbamide103-85-535 % similar 3-(Phenylamino)-2-cyclohexen-1-one24706-50-135 % similar Phenylguanidine bicarbonate6685-76-335 % similar 4,4′-Dinitrocarbanilide587-90-634 % similar N-Phenyl-isobutyloylacetamide124401-38-334 % similar

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

Same formula

2-Amino-5-phenyl-1,3,4-oxadiazole1612-76-6 1-Phenyl-3-hydroxy-1,2,4-triazole4231-68-9 4-(1,2,4-Triazol-1-yl)phenol68337-15-5

Elsewhere

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