N-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

C18H17ClN2O2 — CID 39889362

IUPACN-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C18H17ClN2O2/c1-11-14(19)5-3-6-15(11)21-18(23)13-8-9-16-12(10-13)4-2-7-17(22)20-16/h3,5-6,8-10H,2,4,7H2,1H3,(H,20,22)(H,21,23)
InChIKeyUEYYNUVLXNBQKC-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.18
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

N-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (PubChem CID 39889362) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
PubChem CID39889362
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC NameN-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C18H17ClN2O2/c1-11-14(19)5-3-6-15(11)21-18(23)13-8-9-16-12(10-13)4-2-7-17(22)20-16/h3,5-6,8-10H,2,4,7H2,1H3,(H,20,22)(H,21,23)
InChIKeyUEYYNUVLXNBQKC-UHFFFAOYSA-N
XLogP4.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011354
methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate
CID 108784479
N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797826
2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784440
N-(2-morpholin-4-ylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784537
N-(4-chloro-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784501
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 29373934
N-(3-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 17421453
N-(2-tert-butylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110858427
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 103479340
dimethyl 5-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzene-1,3-dicarboxylate
CID 108784566
N-(4-chloro-2,5-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24531669

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (CID 39889362) is N-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCCC(=O)N2.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The InChIKey is UEYYNUVLXNBQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11-14(19)5-3-6-15(11)21-18(23)13-8-9-16-12(10-13)4-2-7-17(22)20-16/h3,5-6,8-10H,2,4,7H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
N-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is sourced from PubChem (CID 39889362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).