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

C29H21F3N2O2 — CID 15307981

IUPACN-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H21F3N2O2/c30-29(31,32)24-13-9-19(10-14-24)27(35)33-25-15-11-20(12-16-25)28(36)34-18-23-7-2-1-5-21(23)17-22-6-3-4-8-26(22)34/h1-16H,17-18H2,(H,33,35)
InChIKeyBIQBSDCLVGEYCX-UHFFFAOYSA-N
MW486.49 g/mol
LogP6.71
Rot. Bonds3

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

N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 15307981) has the molecular formula C29H21F3N2O2 and a molecular weight of 486.49 g/mol. Its IUPAC name is N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID15307981
Molecular FormulaC29H21F3N2O2
Molecular Weight486.49 g/mol
Exact Mass486.16
IUPAC NameN-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H21F3N2O2/c30-29(31,32)24-13-9-19(10-14-24)27(35)33-25-15-11-20(12-16-25)28(36)34-18-23-7-2-1-5-21(23)17-22-6-3-4-8-26(22)34/h1-16H,17-18H2,(H,33,35)
InChIKeyBIQBSDCLVGEYCX-UHFFFAOYSA-N
XLogP6.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.49
LogP ≤ 56.71
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-cyclohex-3-en-1-yl-N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]acetamide
CID 139662263
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
CID 109049539
N-(4-acetamidophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049557
N-[4-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide
CID 15308000
N-[4-(2-chloro-6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2,4-dimethylbenzamide
CID 67624769
N-(3,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049570
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55750902
3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
CID 19607806
3,4-dihydro-2H-quinolin-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 25398992
2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176481

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzamide (CID 15307981) is N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is BIQBSDCLVGEYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N2O2/c30-29(31,32)24-13-9-19(10-14-24)27(35)33-25-15-11-20(12-16-25)28(36)34-18-23-7-2-1-5-21(23)17-22-6-3-4-8-26(22)34/h1-16H,17-18H2,(H,33,35).
What are the key properties of N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzamide?
N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 486.49 g/mol, XLogP of 6.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 15307981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).