(2R)-2-[(2-nitrophenyl)carbamoylamino]-N,2-diphenylacetamide

C21H18N4O4 — CID 51957864

IUPAC(2R)-2-[(2-nitrophenyl)carbamoylamino]-N,2-diphenylacetamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])N[C@@H](C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N4O4/c26-20(22-16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)24-21(27)23-17-13-7-8-14-18(17)25(28)29/h1-14,19H,(H,22,26)(H2,23,24,27)/t19-/m1/s1
InChIKeyXFEOXBGHRIHIRG-LJQANCHMSA-N
MW390.40 g/mol
LogP4.10
Rot. Bonds6

About (2R)-2-[(2-nitrophenyl)carbamoylamino]-N,2-diphenylacetamide

(2R)-2-[(2-nitrophenyl)carbamoylamino]-N,2-diphenylacetamide (PubChem CID 51957864) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is (2R)-2-[(2-nitrophenyl)carbamoylamino]-N,2-diphenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(2-nitrophenyl)carbamoylamino]-N,2-diphenylacetamide
PubChem CID51957864
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name(2R)-2-[(2-nitrophenyl)carbamoylamino]-N,2-diphenylacetamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])N[C@@H](C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N4O4/c26-20(22-16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)24-21(27)23-17-13-7-8-14-18(17)25(28)29/h1-14,19H,(H,22,26)(H2,23,24,27)/t19-/m1/s1
InChIKeyXFEOXBGHRIHIRG-LJQANCHMSA-N
XLogP4.10
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-[(2-nitrophenyl)carbamoylamino]-N,2-diphenylacetamide 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

1-(2-nitrophenyl)-3-phenylurea
CID 4109613
1-[2-(dimethylamino)-1-phenylethyl]-3-(2-nitrophenyl)urea
CID 42919236
N-(2-anilino-2-oxo-1-phenylethyl)-4-methoxy-3-nitrobenzamide
CID 55778948
1-benzamido-3-(2-nitrophenyl)urea
CID 91390180
2-methyl-6-[(2-nitrophenyl)carbamoylamino]benzoic acid
CID 23444552
N,N-dichloro-2-(2-nitroanilino)-2-phenylacetamide
CID 54348060
2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-N,2-diphenylacetamide
CID 55910045
2-[(4-nitrophenyl)methylamino]-N,2-diphenylacetamide
CID 60542252
1-methoxy-3-(2-nitrophenyl)urea
CID 5118632
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] (3R)-3-phenylbutanoate
CID 7266015
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate
CID 7266014

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-nitrophenyl)carbamoylamino]-N,2-diphenylacetamide?
The IUPAC name of (2R)-2-[(2-nitrophenyl)carbamoylamino]-N,2-diphenylacetamide (CID 51957864) is (2R)-2-[(2-nitrophenyl)carbamoylamino]-N,2-diphenylacetamide.
What is the SMILES notation for (2R)-2-[(2-nitrophenyl)carbamoylamino]-N,2-diphenylacetamide?
The canonical SMILES for (2R)-2-[(2-nitrophenyl)carbamoylamino]-N,2-diphenylacetamide is O=C(Nc1ccccc1[N+](=O)[O-])N[C@@H](C(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-[(2-nitrophenyl)carbamoylamino]-N,2-diphenylacetamide?
The InChIKey is XFEOXBGHRIHIRG-LJQANCHMSA-N. The full InChI is InChI=1S/C21H18N4O4/c26-20(22-16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)24-21(27)23-17-13-7-8-14-18(17)25(28)29/h1-14,19H,(H,22,26)(H2,23,24,27)/t19-/m1/s1.
What are the key properties of (2R)-2-[(2-nitrophenyl)carbamoylamino]-N,2-diphenylacetamide?
(2R)-2-[(2-nitrophenyl)carbamoylamino]-N,2-diphenylacetamide has a molecular weight of 390.40 g/mol, XLogP of 4.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-nitrophenyl)carbamoylamino]-N,2-diphenylacetamide is sourced from PubChem (CID 51957864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).