2-[(4-nitrophenyl)methylamino]-N,2-diphenylacetamide

C21H19N3O3 — CID 60542252

IUPAC2-[(4-nitrophenyl)methylamino]-N,2-diphenylacetamide
SMILESO=C(Nc1ccccc1)C(NCc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C21H19N3O3/c25-21(23-18-9-5-2-6-10-18)20(17-7-3-1-4-8-17)22-15-16-11-13-19(14-12-16)24(26)27/h1-14,20,22H,15H2,(H,23,25)
InChIKeyBIGRFPMZSWGZOX-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.06
Rot. Bonds7

About 2-[(4-nitrophenyl)methylamino]-N,2-diphenylacetamide

2-[(4-nitrophenyl)methylamino]-N,2-diphenylacetamide (PubChem CID 60542252) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[(4-nitrophenyl)methylamino]-N,2-diphenylacetamide.

Molecular Properties

Compound Name2-[(4-nitrophenyl)methylamino]-N,2-diphenylacetamide
PubChem CID60542252
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name2-[(4-nitrophenyl)methylamino]-N,2-diphenylacetamide
SMILESO=C(Nc1ccccc1)C(NCc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C21H19N3O3/c25-21(23-18-9-5-2-6-10-18)20(17-7-3-1-4-8-17)22-15-16-11-13-19(14-12-16)24(26)27/h1-14,20,22H,15H2,(H,23,25)
InChIKeyBIGRFPMZSWGZOX-UHFFFAOYSA-N
XLogP4.06
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
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'}

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Related Compounds

(2R)-2-(benzylamino)-N,2-diphenylacetamide
CID 101449959
1-(benzylamino)-4-(4-nitrophenyl)-1-phenylbut-3-en-2-one
CID 159885753
N,N'-bis(4-nitrophenyl)-2-phenylpropanediamide
CID 3396330
2-hydroxy-N-[(4-nitrophenyl)methyl]-2-phenylacetamide
CID 110900157
2-[(4-nitrophenyl)methylamino]-N-phenylacetamide
CID 60875406
1-[(4-nitrophenyl)methyl]-3-phenylthiourea
CID 135077106
2,3-dibromo-N-(4-nitrophenyl)-3-phenylpropanamide
CID 19167834
2-methoxy-N-(4-nitrophenyl)-2-phenylacetamide
CID 2828422
1-(2,2-diphenylethyl)-3-(4-nitrophenyl)thiourea
CID 8658929
[(2S)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]azanium
CID 7408125
(2R,3S)-3-bromo-2-chloro-N-(4-nitrophenyl)-3-phenylpropanamide
CID 15533396
(2S)-2-[(4-nitrophenyl)carbamothioylamino]-2-phenylacetic acid
CID 175604373

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitrophenyl)methylamino]-N,2-diphenylacetamide?
The IUPAC name of 2-[(4-nitrophenyl)methylamino]-N,2-diphenylacetamide (CID 60542252) is 2-[(4-nitrophenyl)methylamino]-N,2-diphenylacetamide.
What is the SMILES notation for 2-[(4-nitrophenyl)methylamino]-N,2-diphenylacetamide?
The canonical SMILES for 2-[(4-nitrophenyl)methylamino]-N,2-diphenylacetamide is O=C(Nc1ccccc1)C(NCc1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of 2-[(4-nitrophenyl)methylamino]-N,2-diphenylacetamide?
The InChIKey is BIGRFPMZSWGZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-21(23-18-9-5-2-6-10-18)20(17-7-3-1-4-8-17)22-15-16-11-13-19(14-12-16)24(26)27/h1-14,20,22H,15H2,(H,23,25).
What are the key properties of 2-[(4-nitrophenyl)methylamino]-N,2-diphenylacetamide?
2-[(4-nitrophenyl)methylamino]-N,2-diphenylacetamide has a molecular weight of 361.40 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrophenyl)methylamino]-N,2-diphenylacetamide is sourced from PubChem (CID 60542252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).