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

C30H25ClN2O2 — CID 67624769

IUPACN-[4-(2-chloro-6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)N3Cc4ccccc4Cc4cc(Cl)ccc43)cc2)c(C)c1
InChIInChI=1S/C30H25ClN2O2/c1-19-7-13-27(20(2)15-19)29(34)32-26-11-8-21(9-12-26)30(35)33-18-23-6-4-3-5-22(23)16-24-17-25(31)10-14-28(24)33/h3-15,17H,16,18H2,1-2H3,(H,32,34)
InChIKeyDAPKUXSWNRUURI-UHFFFAOYSA-N
MW481.00 g/mol
LogP6.96
Rot. Bonds3

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

N-[4-(2-chloro-6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2,4-dimethylbenzamide (PubChem CID 67624769) has the molecular formula C30H25ClN2O2 and a molecular weight of 481.00 g/mol. Its IUPAC name is N-[4-(2-chloro-6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(2-chloro-6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2,4-dimethylbenzamide
PubChem CID67624769
Molecular FormulaC30H25ClN2O2
Molecular Weight481.00 g/mol
Exact Mass480.16
IUPAC NameN-[4-(2-chloro-6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)N3Cc4ccccc4Cc4cc(Cl)ccc43)cc2)c(C)c1
InChIInChI=1S/C30H25ClN2O2/c1-19-7-13-27(20(2)15-19)29(34)32-26-11-8-21(9-12-26)30(35)33-18-23-6-4-3-5-22(23)16-24-17-25(31)10-14-28(24)33/h3-15,17H,16,18H2,1-2H3,(H,32,34)
InChIKeyDAPKUXSWNRUURI-UHFFFAOYSA-N
XLogP6.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.00
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]benzamide
CID 67625330
2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide
CID 70059373
N-[4-(8-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)phenyl]-2,3-dimethylbenzamide
CID 67624740
N-[4-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide
CID 15308000
N-[3-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethylbenzamide
CID 3589769
N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzamide
CID 15307981
2,4-dichloro-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-N-methylbenzamide
CID 67625643
N-[4-[(5R)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 176507654
N-[4-[6-chloro-4-(methylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]-2-methylbenzamide
CID 57135530
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-dimethylbenzamide
CID 42424076
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
N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)-3-methylphenyl]-2-pyridin-3-ylbenzamide
CID 22099878

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloro-6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[4-(2-chloro-6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2,4-dimethylbenzamide (CID 67624769) is N-[4-(2-chloro-6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[4-(2-chloro-6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[4-(2-chloro-6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(C(=O)N3Cc4ccccc4Cc4cc(Cl)ccc43)cc2)c(C)c1.
What is the InChIKey of N-[4-(2-chloro-6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2,4-dimethylbenzamide?
The InChIKey is DAPKUXSWNRUURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClN2O2/c1-19-7-13-27(20(2)15-19)29(34)32-26-11-8-21(9-12-26)30(35)33-18-23-6-4-3-5-22(23)16-24-17-25(31)10-14-28(24)33/h3-15,17H,16,18H2,1-2H3,(H,32,34).
What are the key properties of N-[4-(2-chloro-6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2,4-dimethylbenzamide?
N-[4-(2-chloro-6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2,4-dimethylbenzamide has a molecular weight of 481.00 g/mol, XLogP of 6.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloro-6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 67624769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).