2-(2-chlorophenyl)-N-[4-(2,2-dimethyl-4,5-dihydro-3H-1-benzazepine-1-carbonyl)phenyl]acetamide

C27H27ClN2O2 — CID 70060646

IUPAC2-(2-chlorophenyl)-N-[4-(2,2-dimethyl-4,5-dihydro-3H-1-benzazepine-1-carbonyl)phenyl]acetamide
SMILESCC1(C)CCCc2ccccc2N1C(=O)c1ccc(NC(=O)Cc2ccccc2Cl)cc1
InChIInChI=1S/C27H27ClN2O2/c1-27(2)17-7-10-19-8-4-6-12-24(19)30(27)26(32)20-13-15-22(16-14-20)29-25(31)18-21-9-3-5-11-23(21)28/h3-6,8-9,11-16H,7,10,17-18H2,1-2H3,(H,29,31)
InChIKeyHXHJNNSEJASZSU-UHFFFAOYSA-N
MW446.98 g/mol
LogP6.28
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[4-(2,2-dimethyl-4,5-dihydro-3H-1-benzazepine-1-carbonyl)phenyl]acetamide

2-(2-chlorophenyl)-N-[4-(2,2-dimethyl-4,5-dihydro-3H-1-benzazepine-1-carbonyl)phenyl]acetamide (PubChem CID 70060646) has the molecular formula C27H27ClN2O2 and a molecular weight of 446.98 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-(2,2-dimethyl-4,5-dihydro-3H-1-benzazepine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-(2,2-dimethyl-4,5-dihydro-3H-1-benzazepine-1-carbonyl)phenyl]acetamide
PubChem CID70060646
Molecular FormulaC27H27ClN2O2
Molecular Weight446.98 g/mol
Exact Mass446.18
IUPAC Name2-(2-chlorophenyl)-N-[4-(2,2-dimethyl-4,5-dihydro-3H-1-benzazepine-1-carbonyl)phenyl]acetamide
SMILESCC1(C)CCCc2ccccc2N1C(=O)c1ccc(NC(=O)Cc2ccccc2Cl)cc1
InChIInChI=1S/C27H27ClN2O2/c1-27(2)17-7-10-19-8-4-6-12-24(19)30(27)26(32)20-13-15-22(16-14-20)29-25(31)18-21-9-3-5-11-23(21)28/h3-6,8-9,11-16H,7,10,17-18H2,1-2H3,(H,29,31)
InChIKeyHXHJNNSEJASZSU-UHFFFAOYSA-N
XLogP6.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.98
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]acetamide
CID 67625377
N-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20943959
N-[4-(6H-benzo[b][1,4]benzothiazepine-5-carbonyl)phenyl]-2-(2-methylphenyl)acetamide
CID 67623973
1-[4-(azepane-1-carbonyl)phenyl]-3-[(2-chlorophenyl)methyl]urea
CID 52667072
2-(4-methylanilino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide
CID 19608007
N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide
CID 17199159
N-[4-(9-chloro-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-2-(2-methylphenyl)acetamide
CID 70344794
2-[4-(acetamidomethyl)anilino]-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide
CID 139795648
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid
CID 28866702
2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24535268
2-[4-[[2-(2-chlorophenyl)acetyl]amino]phenyl]acetamide
CID 39280584
2-(cyclohexylamino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide
CID 19608252

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-(2,2-dimethyl-4,5-dihydro-3H-1-benzazepine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-(2,2-dimethyl-4,5-dihydro-3H-1-benzazepine-1-carbonyl)phenyl]acetamide (CID 70060646) is 2-(2-chlorophenyl)-N-[4-(2,2-dimethyl-4,5-dihydro-3H-1-benzazepine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-(2,2-dimethyl-4,5-dihydro-3H-1-benzazepine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-(2,2-dimethyl-4,5-dihydro-3H-1-benzazepine-1-carbonyl)phenyl]acetamide is CC1(C)CCCc2ccccc2N1C(=O)c1ccc(NC(=O)Cc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-(2,2-dimethyl-4,5-dihydro-3H-1-benzazepine-1-carbonyl)phenyl]acetamide?
The InChIKey is HXHJNNSEJASZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O2/c1-27(2)17-7-10-19-8-4-6-12-24(19)30(27)26(32)20-13-15-22(16-14-20)29-25(31)18-21-9-3-5-11-23(21)28/h3-6,8-9,11-16H,7,10,17-18H2,1-2H3,(H,29,31).
What are the key properties of 2-(2-chlorophenyl)-N-[4-(2,2-dimethyl-4,5-dihydro-3H-1-benzazepine-1-carbonyl)phenyl]acetamide?
2-(2-chlorophenyl)-N-[4-(2,2-dimethyl-4,5-dihydro-3H-1-benzazepine-1-carbonyl)phenyl]acetamide has a molecular weight of 446.98 g/mol, XLogP of 6.28, 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-(2,2-dimethyl-4,5-dihydro-3H-1-benzazepine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 70060646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).