N-[(3-nitrophenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide

C23H21N3O4 — CID 1352002

IUPACN-[(3-nitrophenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H21N3O4/c27-21(14-17-8-3-1-4-9-17)24-23(19-12-7-13-20(16-19)26(29)30)25-22(28)15-18-10-5-2-6-11-18/h1-13,16,23H,14-15H2,(H,24,27)(H,25,28)
InChIKeyXWIGDJWQAJXIEA-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.31
Rot. Bonds8

About N-[(3-nitrophenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide

N-[(3-nitrophenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide (PubChem CID 1352002) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[(3-nitrophenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3-nitrophenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide
PubChem CID1352002
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-[(3-nitrophenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H21N3O4/c27-21(14-17-8-3-1-4-9-17)24-23(19-12-7-13-20(16-19)26(29)30)25-22(28)15-18-10-5-2-6-11-18/h1-13,16,23H,14-15H2,(H,24,27)(H,25,28)
InChIKeyXWIGDJWQAJXIEA-UHFFFAOYSA-N
XLogP3.31
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3-nitrophenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide 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

N,N'-((4-(dimethylamino)phenyl)methylene)bis(2-phenylacetamide)
CID 4296438
N-((Benzoylamino)(3-nitrophenyl)methyl)benzamide
CID 1371821
N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-nitrobenzamide hydrochloride
CID 14783868
N-(cyclohexylmethyl)-3-nitrobenzamide
CID 2989425
3-nitro-N-(4-phenylbutyl)benzamide
CID 3106540
2-phenyl-N-[2,2,2-trichloro-1-(4-nitroanilino)ethyl]acetamide
CID 4249750
N-benzyl-3-nitrobenzamide
CID 347075
3,5-dinitro-N-(2-phenylethyl)benzamide
CID 351145
2-(2-nitrophenyl)-N-(3-phenylpropyl)acetamide
CID 2181642
N-[1-(3-nitrobenzoyl)piperidin-4-yl]benzamide
CID 2729510
3,5-dinitro-N-(4-phenylbutyl)benzamide
CID 2755820
N-(1-Methyl-2-phenyl-ethyl)-2-(4-nitro-phenyl)-acetamide
CID 3104541

Frequently Asked Questions

What is the IUPAC name of N-[(3-nitrophenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide?
The IUPAC name of N-[(3-nitrophenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide (CID 1352002) is N-[(3-nitrophenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(3-nitrophenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide?
The canonical SMILES for N-[(3-nitrophenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(3-nitrophenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide?
The InChIKey is XWIGDJWQAJXIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c27-21(14-17-8-3-1-4-9-17)24-23(19-12-7-13-20(16-19)26(29)30)25-22(28)15-18-10-5-2-6-11-18/h1-13,16,23H,14-15H2,(H,24,27)(H,25,28).
What are the key properties of N-[(3-nitrophenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide?
N-[(3-nitrophenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide has a molecular weight of 403.44 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-nitrophenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide is sourced from PubChem (CID 1352002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).