N-[4-(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepine-4-carbonyl)phenyl]benzamide

C27H26N2O4 — CID 52905074

IUPACN-[4-(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepine-4-carbonyl)phenyl]benzamide
SMILESCOc1cc2c(cc1OC)CCN(C)C(C(=O)c1ccc(NC(=O)c3ccccc3)cc1)=C2
InChIInChI=1S/C27H26N2O4/c1-29-14-13-20-16-24(32-2)25(33-3)17-21(20)15-23(29)26(30)18-9-11-22(12-10-18)28-27(31)19-7-5-4-6-8-19/h4-12,15-17H,13-14H2,1-3H3,(H,28,31)
InChIKeyNFFDGVCDJCRHFO-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.67
Rot. Bonds6

About N-[4-(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepine-4-carbonyl)phenyl]benzamide

N-[4-(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepine-4-carbonyl)phenyl]benzamide (PubChem CID 52905074) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[4-(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepine-4-carbonyl)phenyl]benzamide
PubChem CID52905074
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC NameN-[4-(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepine-4-carbonyl)phenyl]benzamide
SMILESCOc1cc2c(cc1OC)CCN(C)C(C(=O)c1ccc(NC(=O)c3ccccc3)cc1)=C2
InChIInChI=1S/C27H26N2O4/c1-29-14-13-20-16-24(32-2)25(33-3)17-21(20)15-23(29)26(30)18-9-11-22(12-10-18)28-27(31)19-7-5-4-6-8-19/h4-12,15-17H,13-14H2,1-3H3,(H,28,31)
InChIKeyNFFDGVCDJCRHFO-UHFFFAOYSA-N
XLogP4.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
CID 38447933
N-[4-(10-bromo-4-methoxy-7-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][3]benzazepine-6-carbonyl)phenyl]-3,4-dimethoxybenzamide
CID 125430661
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
N-[4-(10-bromo-4-methoxy-7-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][3]benzazepine-6-carbonyl)phenyl]-2,6-dimethoxybenzamide
CID 125429271
3,4,5-trimethoxy-N-(1-methyl-2,3-dihydroindol-6-yl)benzamide
CID 110729223
N-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 13458385
N-(4-benzoylphenyl)-4-piperazin-1-ylbenzamide
CID 174547037
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94646312
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpyridine-4-carboxamide
CID 109174994
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
N-[4-(10-bromo-4-methoxy-7-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][3]benzazepine-6-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 125428493

Frequently Asked Questions

What is the IUPAC name of N-[4-(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepine-4-carbonyl)phenyl]benzamide?
The IUPAC name of N-[4-(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepine-4-carbonyl)phenyl]benzamide (CID 52905074) is N-[4-(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for N-[4-(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for N-[4-(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepine-4-carbonyl)phenyl]benzamide is COc1cc2c(cc1OC)CCN(C)C(C(=O)c1ccc(NC(=O)c3ccccc3)cc1)=C2.
What is the InChIKey of N-[4-(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepine-4-carbonyl)phenyl]benzamide?
The InChIKey is NFFDGVCDJCRHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-29-14-13-20-16-24(32-2)25(33-3)17-21(20)15-23(29)26(30)18-9-11-22(12-10-18)28-27(31)19-7-5-4-6-8-19/h4-12,15-17H,13-14H2,1-3H3,(H,28,31).
What are the key properties of N-[4-(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepine-4-carbonyl)phenyl]benzamide?
N-[4-(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepine-4-carbonyl)phenyl]benzamide has a molecular weight of 442.52 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7,8-dimethoxy-3-methyl-1,2-dihydro-3-benzazepine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 52905074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).