2,4-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-N-methylbenzamide

C29H22Cl2N2O2 — CID 67625643

IUPAC2,4-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C29H22Cl2N2O2/c1-32(29(35)25-15-12-23(30)17-26(25)31)24-13-10-19(11-14-24)28(34)33-18-22-8-3-2-6-20(22)16-21-7-4-5-9-27(21)33/h2-15,17H,16,18H2,1H3
InChIKeyYAXZVEKBJBFNEG-UHFFFAOYSA-N
MW501.41 g/mol
LogP7.02
Rot. Bonds3

About 2,4-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-N-methylbenzamide

2,4-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-N-methylbenzamide (PubChem CID 67625643) has the molecular formula C29H22Cl2N2O2 and a molecular weight of 501.41 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-N-methylbenzamide
PubChem CID67625643
Molecular FormulaC29H22Cl2N2O2
Molecular Weight501.41 g/mol
Exact Mass500.11
IUPAC Name2,4-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C29H22Cl2N2O2/c1-32(29(35)25-15-12-23(30)17-26(25)31)24-13-10-19(11-14-24)28(34)33-18-22-8-3-2-6-20(22)16-21-7-4-5-9-27(21)33/h2-15,17H,16,18H2,1H3
InChIKeyYAXZVEKBJBFNEG-UHFFFAOYSA-N
XLogP7.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.41
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-chloro-6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2,4-dimethylbenzamide
CID 67624769
2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide
CID 70059373
2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide
CID 67625330
6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone
CID 144602940
6,11-dihydrobenzo[c][1]benzazepin-5-yl-(3-methyl-4-nitrophenyl)methanone
CID 54506243
2-chloro-N-methyl-4-nitro-N-phenylbenzamide
CID 799115
4-chloro-2-fluoro-N-methyl-N-phenylbenzamide
CID 56919945
2,4-dichloro-N-[2-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]benzamide
CID 70344026
N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzamide
CID 15307981
2,4-dichloro-N-[4-[9-(2,2,2-trifluoroacetyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]phenyl]benzamide
CID 139660674
2,5-dichloro-N-[4-(6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carbonyl)phenyl]-N-methylbenzamide
CID 54402533
2-cyclohex-3-en-1-yl-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]acetamide
CID 139662263

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-N-methylbenzamide?
The IUPAC name of 2,4-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-N-methylbenzamide (CID 67625643) is 2,4-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-N-methylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-N-methylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-N-methylbenzamide is CN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1.
What is the InChIKey of 2,4-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-N-methylbenzamide?
The InChIKey is YAXZVEKBJBFNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22Cl2N2O2/c1-32(29(35)25-15-12-23(30)17-26(25)31)24-13-10-19(11-14-24)28(34)33-18-22-8-3-2-6-20(22)16-21-7-4-5-9-27(21)33/h2-15,17H,16,18H2,1H3.
What are the key properties of 2,4-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-N-methylbenzamide?
2,4-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-N-methylbenzamide has a molecular weight of 501.41 g/mol, XLogP of 7.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-N-methylbenzamide is sourced from PubChem (CID 67625643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).