2-(4-chlorophenyl)-3-nitropropanamide

C9H9ClN2O3 — CID 118709475

IUPAC2-(4-chlorophenyl)-3-nitropropanamide
SMILESNC(=O)C(C[N+](=O)[O-])c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2O3/c10-7-3-1-6(2-4-7)8(9(11)13)5-12(14)15/h1-4,8H,5H2,(H2,11,13)
InChIKeyCSNTXEVBSHRBRQ-UHFFFAOYSA-N
MW228.64 g/mol
LogP1.19
Rot. Bonds4

About 2-(4-chlorophenyl)-3-nitropropanamide

2-(4-chlorophenyl)-3-nitropropanamide (PubChem CID 118709475) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.64 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-nitropropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-nitropropanamide
PubChem CID118709475
Molecular FormulaC9H9ClN2O3
Molecular Weight228.64 g/mol
Exact Mass228.03
IUPAC Name2-(4-chlorophenyl)-3-nitropropanamide
SMILESNC(=O)C(C[N+](=O)[O-])c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2O3/c10-7-3-1-6(2-4-7)8(9(11)13)5-12(14)15/h1-4,8H,5H2,(H2,11,13)
InChIKeyCSNTXEVBSHRBRQ-UHFFFAOYSA-N
XLogP1.19
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.64
LogP ≤ 51.19
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

2,2-bis(4-chlorophenyl)-N-hydroxyacetamide
CID 45482643
5-(4-chlorophenyl)-N-hydroxypentanamide
CID 11528707
2-(4-Chlorophenyl)-3-methylbutanamide
CID 12898176
2-(4-chlorophenyl)-N-hydroxyacetamide
CID 23423499
(2R)-2-benzyl-3-nitropropanamide
CID 44543638
(S)-2-amino-3-(4-chlorophenyl)-N-hydroxypropanamide
CID 16094836
3-(4-Chlorophenyl)-4-nitro-1-phenylbutan-2-one
CID 118709480
2-(4-chlorophenyl)-N,N-dimethyl-3-nitropropanamide
CID 118709476
3-(4-Chlorophenyl)pentanediamide
CID 18793588
(R)-2-(4-chloro-phenyl)-propionamide
CID 11052302
(2R)-2-(4-chlorophenyl)pent-4-enamide
CID 11435754
(-)-(2S)-[(R)-4-chloro-alpha-(nitromethyl)benzyl]cyclohexanone
CID 11173578

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-nitropropanamide?
The IUPAC name of 2-(4-chlorophenyl)-3-nitropropanamide (CID 118709475) is 2-(4-chlorophenyl)-3-nitropropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-3-nitropropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-3-nitropropanamide is NC(=O)C(C[N+](=O)[O-])c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-nitropropanamide?
The InChIKey is CSNTXEVBSHRBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3/c10-7-3-1-6(2-4-7)8(9(11)13)5-12(14)15/h1-4,8H,5H2,(H2,11,13).
What are the key properties of 2-(4-chlorophenyl)-3-nitropropanamide?
2-(4-chlorophenyl)-3-nitropropanamide has a molecular weight of 228.64 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-nitropropanamide is sourced from PubChem (CID 118709475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).