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

C29H24N2O2 — CID 15307968

IUPACN-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C29H24N2O2/c1-20-8-2-6-12-26(20)28(32)30-25-16-14-21(15-17-25)29(33)31-19-24-11-4-3-9-22(24)18-23-10-5-7-13-27(23)31/h2-17H,18-19H2,1H3,(H,30,32)
InChIKeyGBOLNTRTRBWONC-UHFFFAOYSA-N
MW432.52 g/mol
LogP6.00
Rot. Bonds3

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

N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide (PubChem CID 15307968) has the molecular formula C29H24N2O2 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide
PubChem CID15307968
Molecular FormulaC29H24N2O2
Molecular Weight432.52 g/mol
Exact Mass432.18
IUPAC NameN-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C29H24N2O2/c1-20-8-2-6-12-26(20)28(32)30-25-16-14-21(15-17-25)29(33)31-19-24-11-4-3-9-22(24)18-23-10-5-7-13-27(23)31/h2-17H,18-19H2,1H3,(H,30,32)
InChIKeyGBOLNTRTRBWONC-UHFFFAOYSA-N
XLogP6.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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YM 471
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T-226296
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Mozavaptan Hydrochloride
CID 636389
Solvent Yellow 44
CID 75589
2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)phenanthridin-6(5H)-one
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SARS-CoV-2 PLpro Inhibitor, 8
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SARS-CoV-2 PLpro Inhibitor, 9
CID 156907158
N-(4-(2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)phenyl)biphenyl-2-carboxamide
CID 10411308
4-{[4-(acetylamino)phenyl][1-(4-fluorobenzyl)piperidin 4 ylidene]methyl}-N,N-diethylbenzamide
CID 11283686

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide (CID 15307968) is N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1.
What is the InChIKey of N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide?
The InChIKey is GBOLNTRTRBWONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O2/c1-20-8-2-6-12-26(20)28(32)30-25-16-14-21(15-17-25)29(33)31-19-24-11-4-3-9-22(24)18-23-10-5-7-13-27(23)31/h2-17H,18-19H2,1H3,(H,30,32).
What are the key properties of N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide?
N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide has a molecular weight of 432.52 g/mol, XLogP of 6.00, 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]-2-methylbenzamide is sourced from PubChem (CID 15307968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).