N-(3-nitrophenyl)-2,2-diphenylpropanamide

C21H18N2O3 — CID 766973

IUPACN-(3-nitrophenyl)-2,2-diphenylpropanamide
SMILESCC(C(=O)Nc1cccc([N+](=O)[O-])c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O3/c1-21(16-9-4-2-5-10-16,17-11-6-3-7-12-17)20(24)22-18-13-8-14-19(15-18)23(25)26/h2-15H,1H3,(H,22,24)
InChIKeyMSEBXDHEKMVPQQ-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.54
Rot. Bonds5

About N-(3-nitrophenyl)-2,2-diphenylpropanamide

N-(3-nitrophenyl)-2,2-diphenylpropanamide (PubChem CID 766973) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2,2-diphenylpropanamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2,2-diphenylpropanamide
PubChem CID766973
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-(3-nitrophenyl)-2,2-diphenylpropanamide
SMILESCC(C(=O)Nc1cccc([N+](=O)[O-])c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O3/c1-21(16-9-4-2-5-10-16,17-11-6-3-7-12-17)20(24)22-18-13-8-14-19(15-18)23(25)26/h2-15H,1H3,(H,22,24)
InChIKeyMSEBXDHEKMVPQQ-UHFFFAOYSA-N
XLogP4.54
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-amino-2-methyl-N-(3-nitrophenyl)butanamide
CID 79797596
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N-[3-(2,2-diphenylpropanoylamino)phenyl]benzamide
CID 2263945
1-(3-nitrophenyl)-3-(trifluoromethyl)urea
CID 108865882
(2S)-2-amino-3,3-dimethyl-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670754
1-[3-(3-nitrophenyl)phenyl]-3-phenylurea
CID 110446797
2-[ethyl-[(3-nitrophenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62817628
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
ethane;N-(3-nitrophenyl)prop-2-enamide
CID 142347687
1-methoxy-3-(3-nitrophenyl)urea
CID 41474055
N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide
CID 45001006
N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108513404

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2,2-diphenylpropanamide?
The IUPAC name of N-(3-nitrophenyl)-2,2-diphenylpropanamide (CID 766973) is N-(3-nitrophenyl)-2,2-diphenylpropanamide.
What is the SMILES notation for N-(3-nitrophenyl)-2,2-diphenylpropanamide?
The canonical SMILES for N-(3-nitrophenyl)-2,2-diphenylpropanamide is CC(C(=O)Nc1cccc([N+](=O)[O-])c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-nitrophenyl)-2,2-diphenylpropanamide?
The InChIKey is MSEBXDHEKMVPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-21(16-9-4-2-5-10-16,17-11-6-3-7-12-17)20(24)22-18-13-8-14-19(15-18)23(25)26/h2-15H,1H3,(H,22,24).
What are the key properties of N-(3-nitrophenyl)-2,2-diphenylpropanamide?
N-(3-nitrophenyl)-2,2-diphenylpropanamide has a molecular weight of 346.39 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2,2-diphenylpropanamide is sourced from PubChem (CID 766973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).