2-amino-N-(2-chloro-4-nitrophenyl)propanamide

C9H10ClN3O3 — CID 43218156

IUPAC2-amino-N-(2-chloro-4-nitrophenyl)propanamide
SMILESCC(N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H10ClN3O3/c1-5(11)9(14)12-8-3-2-6(13(15)16)4-7(8)10/h2-5H,11H2,1H3,(H,12,14)
InChIKeyFHPAXFPSHDZIOA-UHFFFAOYSA-N
MW243.65 g/mol
LogP1.53
Rot. Bonds3

About 2-amino-N-(2-chloro-4-nitrophenyl)propanamide

2-amino-N-(2-chloro-4-nitrophenyl)propanamide (PubChem CID 43218156) has the molecular formula C9H10ClN3O3 and a molecular weight of 243.65 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-4-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-4-nitrophenyl)propanamide
PubChem CID43218156
Molecular FormulaC9H10ClN3O3
Molecular Weight243.65 g/mol
Exact Mass243.04
IUPAC Name2-amino-N-(2-chloro-4-nitrophenyl)propanamide
SMILESCC(N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H10ClN3O3/c1-5(11)9(14)12-8-3-2-6(13(15)16)4-7(8)10/h2-5H,11H2,1H3,(H,12,14)
InChIKeyFHPAXFPSHDZIOA-UHFFFAOYSA-N
XLogP1.53
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide
CID 78972381
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide
CID 60638642
N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide
CID 103514907
(2R)-2-amino-N-(2-chloro-4-nitrophenyl)-4-methylsulfanylbutanamide
CID 104907199
2-bromo-N-(2-chloro-4-nitrophenyl)butanamide
CID 62856327
[2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 2-methylpropanoate
CID 42963091
2-amino-N-(2-chloro-4-nitrophenyl)-5-methoxypentanamide
CID 81083150
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099
[1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)propanoate
CID 23958969
N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide
CID 79200154
(2S)-2-(4-tert-butylanilino)-N-(2-chloro-4-nitrophenyl)propanamide
CID 41040882

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-4-nitrophenyl)propanamide?
The IUPAC name of 2-amino-N-(2-chloro-4-nitrophenyl)propanamide (CID 43218156) is 2-amino-N-(2-chloro-4-nitrophenyl)propanamide.
What is the SMILES notation for 2-amino-N-(2-chloro-4-nitrophenyl)propanamide?
The canonical SMILES for 2-amino-N-(2-chloro-4-nitrophenyl)propanamide is CC(N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-amino-N-(2-chloro-4-nitrophenyl)propanamide?
The InChIKey is FHPAXFPSHDZIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O3/c1-5(11)9(14)12-8-3-2-6(13(15)16)4-7(8)10/h2-5H,11H2,1H3,(H,12,14).
What are the key properties of 2-amino-N-(2-chloro-4-nitrophenyl)propanamide?
2-amino-N-(2-chloro-4-nitrophenyl)propanamide has a molecular weight of 243.65 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-4-nitrophenyl)propanamide is sourced from PubChem (CID 43218156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).