1-(4-Amino-2-methylbenzoyl)-7-chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one

C₁₈H₁₇ClN₂O₂CAS 137977-97-0328.80 g/mol

Open in Covalent MOL file

Amide Aryl halide Ketone Primary amine

Properties

Molecular formula: C₁₈H₁₇ClN₂O₂
Molar mass: 328.80 g/mol
Exact mass: 328.0979 Da
logP: 3.85Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

137977-97-0

SMILES

CC1=C(C=CC(=C1)N)C(=O)N2CCCC(=O)C3=C2C=CC(=C3)Cl

InChIKey

FLJCJPKXJWRZJB-UHFFFAOYSA-N

InChI

InChI=1S/C18H17ClN2O2/c1-11-9-13(20)5-6-14(11)18(23)21-8-2-3-17(22)15-10-12(19)4-7-16(15)21/h4-7,9-10H,2-3,8,20H2,1H3

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Work with 1-(4-Amino-2-methylbenzoyl)-7-chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one

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

Tolvaptan150683-30-043 % similar 6-Chloro-1-tetralone26673-31-439 % similar 7-Chloro-3,4-dihydro-1(2H)-naphthalenone26673-32-539 % similar 1-(2,4-Dichlorophenyl)-1-pentanone61023-66-339 % similar 4-Amino-2-methylbenzoic acid2486-75-138 % similar 5-Chloro-1-indanone42348-86-736 % similar 1-(2,4-Dichlorophenyl)-1-butanone66353-47-736 % similar 4-Chloro-2-methylbenzoic acid7499-07-235 % similar

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

Same formula

3-(2-Chloroethyl)-2-methyl-9-(phenylmethoxy)-4H-pyrido[1,2-A]pyrimidin-4-one147687-17-0

Elsewhere

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