2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide

C28H20Cl2N2O2 — CID 67625330

IUPAC2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C28H20Cl2N2O2/c29-24-10-5-9-23(26(24)30)27(33)31-22-14-12-18(13-15-22)28(34)32-17-21-8-2-1-6-19(21)16-20-7-3-4-11-25(20)32/h1-15H,16-17H2,(H,31,33)
InChIKeyRVFWPKATCMAUFD-UHFFFAOYSA-N
MW487.39 g/mol
LogP7.00
Rot. Bonds3

About 2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide

2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide (PubChem CID 67625330) has the molecular formula C28H20Cl2N2O2 and a molecular weight of 487.39 g/mol. Its IUPAC name is 2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide
PubChem CID67625330
Molecular FormulaC28H20Cl2N2O2
Molecular Weight487.39 g/mol
Exact Mass486.09
IUPAC Name2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C28H20Cl2N2O2/c29-24-10-5-9-23(26(24)30)27(33)31-22-14-12-18(13-15-22)28(34)32-17-21-8-2-1-6-19(21)16-20-7-3-4-11-25(20)32/h1-15H,16-17H2,(H,31,33)
InChIKeyRVFWPKATCMAUFD-UHFFFAOYSA-N
XLogP7.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.39
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751105
N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzamide
CID 15307981
N-[4-(2-chloro-6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2,4-dimethylbenzamide
CID 67624769
N-[4-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide
CID 15308000
2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide
CID 70059373
2,3-dichloro-N-[4-(4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine-6-carbonyl)phenyl]benzamide
CID 56988406
2,3-dichloro-N-phenylbenzamide
CID 7732866
2-chloro-4-(6H-phenanthridine-5-carbonyl)-N-phenylbenzamide
CID 70059578
2-cyclohex-3-en-1-yl-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]acetamide
CID 139662263
6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone
CID 144602940
2,3-dichloro-N-[2,3-dichloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]benzamide
CID 70344154
2-[2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]carbamoyl]phenyl]benzoic acid
CID 22405102

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide (CID 67625330) is 2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide?
The InChIKey is RVFWPKATCMAUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl2N2O2/c29-24-10-5-9-23(26(24)30)27(33)31-22-14-12-18(13-15-22)28(34)32-17-21-8-2-1-6-19(21)16-20-7-3-4-11-25(20)32/h1-15H,16-17H2,(H,31,33).
What are the key properties of 2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide?
2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide has a molecular weight of 487.39 g/mol, XLogP of 7.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide is sourced from PubChem (CID 67625330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).