2-(2-chlorophenyl)-N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]acetamide

C29H23ClN2O2 — CID 67625377

IUPAC2-(2-chlorophenyl)-N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1ccc(C(=O)N2CCc3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C29H23ClN2O2/c30-26-11-5-2-8-22(26)19-28(33)31-23-15-13-21(14-16-23)29(34)32-18-17-20-7-1-3-9-24(20)25-10-4-6-12-27(25)32/h1-16H,17-19H2,(H,31,33)
InChIKeyLCVFKZILICFFAN-UHFFFAOYSA-N
MW466.97 g/mol
LogP6.39
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]acetamide

2-(2-chlorophenyl)-N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]acetamide (PubChem CID 67625377) has the molecular formula C29H23ClN2O2 and a molecular weight of 466.97 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]acetamide
PubChem CID67625377
Molecular FormulaC29H23ClN2O2
Molecular Weight466.97 g/mol
Exact Mass466.14
IUPAC Name2-(2-chlorophenyl)-N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1ccc(C(=O)N2CCc3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C29H23ClN2O2/c30-26-11-5-2-8-22(26)19-28(33)31-23-15-13-21(14-16-23)29(34)32-18-17-20-7-1-3-9-24(20)25-10-4-6-12-27(25)32/h1-16H,17-19H2,(H,31,33)
InChIKeyLCVFKZILICFFAN-UHFFFAOYSA-N
XLogP6.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.97
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-[4-(2,2-dimethyl-4,5-dihydro-3H-1-benzazepine-1-carbonyl)phenyl]acetamide
CID 70060646
7-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]heptanamide
CID 119761257
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide
CID 119761261
2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 60608468
N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide
CID 17199159
N-(4-acetamidophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049557
ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate
CID 17463850
5-[(2-chlorophenyl)methyl]-3-(2,3-dihydroindole-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one
CID 4123799
N-[4-(6H-benzo[b][1,4]benzothiazepine-5-carbonyl)phenyl]-2-(2-methylphenyl)acetamide
CID 67623973
2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide
CID 70059373
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
CID 109049539
2-(4-methylanilino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide
CID 19608007

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]acetamide (CID 67625377) is 2-(2-chlorophenyl)-N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]acetamide is O=C(Cc1ccccc1Cl)Nc1ccc(C(=O)N2CCc3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]acetamide?
The InChIKey is LCVFKZILICFFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN2O2/c30-26-11-5-2-8-22(26)19-28(33)31-23-15-13-21(14-16-23)29(34)32-18-17-20-7-1-3-9-24(20)25-10-4-6-12-27(25)32/h1-16H,17-19H2,(H,31,33).
What are the key properties of 2-(2-chlorophenyl)-N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]acetamide?
2-(2-chlorophenyl)-N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]acetamide has a molecular weight of 466.97 g/mol, XLogP of 6.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]acetamide is sourced from PubChem (CID 67625377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).