N-(3-acetamidophenyl)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

C19H22N4O2 — CID 136523247

IUPACN-(3-acetamidophenyl)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)N2CCN(C)c3ccccc3C2)c1
InChIInChI=1S/C19H22N4O2/c1-14(24)20-16-7-5-8-17(12-16)21-19(25)23-11-10-22(2)18-9-4-3-6-15(18)13-23/h3-9,12H,10-11,13H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyNLDLQNXFQJHDIR-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.13
Rot. Bonds2

About N-(3-acetamidophenyl)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

N-(3-acetamidophenyl)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide (PubChem CID 136523247) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
PubChem CID136523247
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(3-acetamidophenyl)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)N2CCN(C)c3ccccc3C2)c1
InChIInChI=1S/C19H22N4O2/c1-14(24)20-16-7-5-8-17(12-16)21-19(25)23-11-10-22(2)18-9-4-3-6-15(18)13-23/h3-9,12H,10-11,13H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyNLDLQNXFQJHDIR-UHFFFAOYSA-N
XLogP3.13
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
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N-(3-acetamidophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanamide
CID 108948166
2-amino-2-methyl-1-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)propan-1-one;dihydrochloride
CID 119876914
N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
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N-(3-acetylphenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
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ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate
CID 108884066

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide (CID 136523247) is N-(3-acetamidophenyl)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide is CC(=O)Nc1cccc(NC(=O)N2CCN(C)c3ccccc3C2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
The InChIKey is NLDLQNXFQJHDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14(24)20-16-7-5-8-17(12-16)21-19(25)23-11-10-22(2)18-9-4-3-6-15(18)13-23/h3-9,12H,10-11,13H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-(3-acetamidophenyl)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
N-(3-acetamidophenyl)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide is sourced from PubChem (CID 136523247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).