N-[2-(4-chlorophenyl)-5-nitrophenyl]-2,2-dimethylpropanamide

C17H17ClN2O3 — CID 154714507

IUPACN-[2-(4-chlorophenyl)-5-nitrophenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3/c1-17(2,3)16(21)19-15-10-13(20(22)23)8-9-14(15)11-4-6-12(18)7-5-11/h4-10H,1-3H3,(H,19,21)
InChIKeyZXRIAMUTNLXYBN-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.90
Rot. Bonds3

About N-[2-(4-chlorophenyl)-5-nitrophenyl]-2,2-dimethylpropanamide

N-[2-(4-chlorophenyl)-5-nitrophenyl]-2,2-dimethylpropanamide (PubChem CID 154714507) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-5-nitrophenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-5-nitrophenyl]-2,2-dimethylpropanamide
PubChem CID154714507
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-[2-(4-chlorophenyl)-5-nitrophenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3/c1-17(2,3)16(21)19-15-10-13(20(22)23)8-9-14(15)11-4-6-12(18)7-5-11/h4-10H,1-3H3,(H,19,21)
InChIKeyZXRIAMUTNLXYBN-UHFFFAOYSA-N
XLogP4.90
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.90
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-5-nitrophenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-5-nitrophenyl]-2,2-dimethylpropanamide (CID 154714507) is N-[2-(4-chlorophenyl)-5-nitrophenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-5-nitrophenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-5-nitrophenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-5-nitrophenyl]-2,2-dimethylpropanamide?
The InChIKey is ZXRIAMUTNLXYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-17(2,3)16(21)19-15-10-13(20(22)23)8-9-14(15)11-4-6-12(18)7-5-11/h4-10H,1-3H3,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)-5-nitrophenyl]-2,2-dimethylpropanamide?
N-[2-(4-chlorophenyl)-5-nitrophenyl]-2,2-dimethylpropanamide has a molecular weight of 332.79 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-5-nitrophenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 154714507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).