2-(4-chlorophenyl)-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide

C17H17ClN2O3 — CID 60528308

IUPAC2-(4-chlorophenyl)-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)(C)c2ccc(Cl)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H17ClN2O3/c1-11-4-9-14(10-15(11)20(22)23)19-16(21)17(2,3)12-5-7-13(18)8-6-12/h4-10H,1-3H3,(H,19,21)
InChIKeyATUAXXMACZKONF-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.47
Rot. Bonds4

About 2-(4-chlorophenyl)-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide

2-(4-chlorophenyl)-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide (PubChem CID 60528308) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide
PubChem CID60528308
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name2-(4-chlorophenyl)-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)(C)c2ccc(Cl)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H17ClN2O3/c1-11-4-9-14(10-15(11)20(22)23)19-16(21)17(2,3)12-5-7-13(18)8-6-12/h4-10H,1-3H3,(H,19,21)
InChIKeyATUAXXMACZKONF-UHFFFAOYSA-N
XLogP4.47
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.47
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

N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide
CID 711327
2-cyano-2-methyl-N-(4-methyl-3-nitrophenyl)butanamide
CID 114291021
N-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide
CID 1147566
(2R)-3-(4-chlorophenoxy)-2-hydroxy-2-methyl-N-(3-methyl-4-nitrophenyl)propanamide
CID 11979027
4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide
CID 78783914
2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide
CID 61266189
N-(4-methyl-3-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604937
2-methyl-2-(4-methyl-3-nitroanilino)propanoic acid
CID 55131899
2-(4-aminophenyl)-N-(3-fluoro-4-methylphenyl)-2-methylpropanamide
CID 80549578
2-methyl-2-[methyl-[(4-methyl-3-nitrophenyl)carbamoyl]amino]propanoic acid
CID 62822499
N-(3-chloro-4-fluorophenyl)-4-methyl-3-nitroaniline
CID 63536605
4-chloro-N-(4-methyl-3-nitrophenyl)butanamide
CID 4067573

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide (CID 60528308) is 2-(4-chlorophenyl)-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide is Cc1ccc(NC(=O)C(C)(C)c2ccc(Cl)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-chlorophenyl)-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide?
The InChIKey is ATUAXXMACZKONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11-4-9-14(10-15(11)20(22)23)19-16(21)17(2,3)12-5-7-13(18)8-6-12/h4-10H,1-3H3,(H,19,21).
What are the key properties of 2-(4-chlorophenyl)-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide?
2-(4-chlorophenyl)-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide has a molecular weight of 332.79 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide is sourced from PubChem (CID 60528308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).