N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]naphthalene-2-carboxamide

C28H21N3O3 — CID 57403161

IUPACN-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]naphthalene-2-carboxamide
SMILESO=CCN1C(=O)C(NC(=O)c2ccc3ccccc3c2)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C28H21N3O3/c32-17-16-31-24-13-7-6-12-23(24)25(20-9-2-1-3-10-20)29-26(28(31)34)30-27(33)22-15-14-19-8-4-5-11-21(19)18-22/h1-15,17-18,26H,16H2,(H,30,33)
InChIKeyJHYNRTOWQBGWSF-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.98
Rot. Bonds5

About N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]naphthalene-2-carboxamide

N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]naphthalene-2-carboxamide (PubChem CID 57403161) has the molecular formula C28H21N3O3 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]naphthalene-2-carboxamide
PubChem CID57403161
Molecular FormulaC28H21N3O3
Molecular Weight447.49 g/mol
Exact Mass447.16
IUPAC NameN-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]naphthalene-2-carboxamide
SMILESO=CCN1C(=O)C(NC(=O)c2ccc3ccccc3c2)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C28H21N3O3/c32-17-16-31-24-13-7-6-12-23(24)25(20-9-2-1-3-10-20)29-26(28(31)34)30-27(33)22-15-14-19-8-4-5-11-21(19)18-22/h1-15,17-18,26H,16H2,(H,30,33)
InChIKeyJHYNRTOWQBGWSF-UHFFFAOYSA-N
XLogP3.98
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]naphthalene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]naphthalene-2-carboxamide (CID 57403161) is N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]naphthalene-2-carboxamide is O=CCN1C(=O)C(NC(=O)c2ccc3ccccc3c2)N=C(c2ccccc2)c2ccccc21.
What is the InChIKey of N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]naphthalene-2-carboxamide?
The InChIKey is JHYNRTOWQBGWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O3/c32-17-16-31-24-13-7-6-12-23(24)25(20-9-2-1-3-10-20)29-26(28(31)34)30-27(33)22-15-14-19-8-4-5-11-21(19)18-22/h1-15,17-18,26H,16H2,(H,30,33).
What are the key properties of N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]naphthalene-2-carboxamide?
N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]naphthalene-2-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 57403161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).