3-chloro-N-(2-nitrophenyl)propanamide

C9H9ClN2O3 — CID 4318991

IUPAC3-chloro-N-(2-nitrophenyl)propanamide
SMILESO=C(CCCl)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H9ClN2O3/c10-6-5-9(13)11-7-3-1-2-4-8(7)12(14)15/h1-4H,5-6H2,(H,11,13)
InChIKeyDULRZGMBDVZDSR-UHFFFAOYSA-N
MW228.63 g/mol
LogP2.16
Rot. Bonds4

About 3-chloro-N-(2-nitrophenyl)propanamide

3-chloro-N-(2-nitrophenyl)propanamide (PubChem CID 4318991) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.63 g/mol. Its IUPAC name is 3-chloro-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(2-nitrophenyl)propanamide
PubChem CID4318991
Molecular FormulaC9H9ClN2O3
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC Name3-chloro-N-(2-nitrophenyl)propanamide
SMILESO=C(CCCl)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H9ClN2O3/c10-6-5-9(13)11-7-3-1-2-4-8(7)12(14)15/h1-4H,5-6H2,(H,11,13)
InChIKeyDULRZGMBDVZDSR-UHFFFAOYSA-N
XLogP2.16
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2-nitrophenyl)pentanamide
CID 43699352
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
N-benzyl-N'-(2-nitrophenyl)butanediamide
CID 4619061
N-[3-(2-nitroanilino)-3-oxopropyl]benzamide
CID 62707198
2-cyano-N-(2-nitrophenyl)acetamide
CID 2792625
2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide
CID 158137216
3-(1,3-dioxoisoindol-2-yl)-N-(2-nitrophenyl)propanamide
CID 2788208
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
3-chloro-2,2-dimethyl-N-(2-nitrophenyl)propanamide
CID 63679610
3-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide
CID 19568122
3-(4-benzylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
CID 14762588
2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide
CID 43708294

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-nitrophenyl)propanamide?
The IUPAC name of 3-chloro-N-(2-nitrophenyl)propanamide (CID 4318991) is 3-chloro-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for 3-chloro-N-(2-nitrophenyl)propanamide?
The canonical SMILES for 3-chloro-N-(2-nitrophenyl)propanamide is O=C(CCCl)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-chloro-N-(2-nitrophenyl)propanamide?
The InChIKey is DULRZGMBDVZDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3/c10-6-5-9(13)11-7-3-1-2-4-8(7)12(14)15/h1-4H,5-6H2,(H,11,13).
What are the key properties of 3-chloro-N-(2-nitrophenyl)propanamide?
3-chloro-N-(2-nitrophenyl)propanamide has a molecular weight of 228.63 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 4318991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).