N-[4-(6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carbonyl)-2-methylphenyl]-2-methoxybenzamide

C28H25N3O3 — CID 57280237

IUPACN-[4-(6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carbonyl)-2-methylphenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(C(=O)C2Nc3ccccc3Cn3cccc32)cc1C
InChIInChI=1S/C28H25N3O3/c1-18-16-19(13-14-22(18)30-28(33)21-9-4-6-12-25(21)34-2)27(32)26-24-11-7-15-31(24)17-20-8-3-5-10-23(20)29-26/h3-16,26,29H,17H2,1-2H3,(H,30,33)
InChIKeyOKPOCQXGSXRWJZ-UHFFFAOYSA-N
MW451.53 g/mol
LogP5.46
Rot. Bonds5

About N-[4-(6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carbonyl)-2-methylphenyl]-2-methoxybenzamide

N-[4-(6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carbonyl)-2-methylphenyl]-2-methoxybenzamide (PubChem CID 57280237) has the molecular formula C28H25N3O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[4-(6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carbonyl)-2-methylphenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carbonyl)-2-methylphenyl]-2-methoxybenzamide
PubChem CID57280237
Molecular FormulaC28H25N3O3
Molecular Weight451.53 g/mol
Exact Mass451.19
IUPAC NameN-[4-(6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carbonyl)-2-methylphenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(C(=O)C2Nc3ccccc3Cn3cccc32)cc1C
InChIInChI=1S/C28H25N3O3/c1-18-16-19(13-14-22(18)30-28(33)21-9-4-6-12-25(21)34-2)27(32)26-24-11-7-15-31(24)17-20-8-3-5-10-23(20)29-26/h3-16,26,29H,17H2,1-2H3,(H,30,33)
InChIKeyOKPOCQXGSXRWJZ-UHFFFAOYSA-N
XLogP5.46
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carbonyl)-2-methylphenyl]-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-N-[4-(6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carbonyl)-2-methoxyphenyl]benzamide
CID 54296763
N-[2-[4-(6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carbonyl)-2-methylphenyl]phenyl]acetamide
CID 57171432
methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
CID 36928114
4-[(2-methoxybenzoyl)amino]-3-methylbenzenesulfonic acid
CID 139945309
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide
CID 7627668
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
methyl 4-chloro-3-[(2-methoxybenzoyl)amino]benzoate
CID 926199
N-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)-2-methoxyphenyl]-2-phenylbenzamide
CID 18917518
N-(4-amino-2,5-dimethylphenyl)-2-methoxybenzamide
CID 103144625
N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76951044
methyl 3-[(2-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 4896727
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808436

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carbonyl)-2-methylphenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-(6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carbonyl)-2-methylphenyl]-2-methoxybenzamide (CID 57280237) is N-[4-(6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carbonyl)-2-methylphenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carbonyl)-2-methylphenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carbonyl)-2-methylphenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(C(=O)C2Nc3ccccc3Cn3cccc32)cc1C.
What is the InChIKey of N-[4-(6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carbonyl)-2-methylphenyl]-2-methoxybenzamide?
The InChIKey is OKPOCQXGSXRWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3/c1-18-16-19(13-14-22(18)30-28(33)21-9-4-6-12-25(21)34-2)27(32)26-24-11-7-15-31(24)17-20-8-3-5-10-23(20)29-26/h3-16,26,29H,17H2,1-2H3,(H,30,33).
What are the key properties of N-[4-(6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carbonyl)-2-methylphenyl]-2-methoxybenzamide?
N-[4-(6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carbonyl)-2-methylphenyl]-2-methoxybenzamide has a molecular weight of 451.53 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carbonyl)-2-methylphenyl]-2-methoxybenzamide is sourced from PubChem (CID 57280237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).