2-amino-N-(4-chloro-3-nitrophenyl)propanamide

C9H10ClN3O3 — CID 43708462

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

About 2-amino-N-(4-chloro-3-nitrophenyl)propanamide

2-amino-N-(4-chloro-3-nitrophenyl)propanamide (PubChem CID 43708462) has the molecular formula C9H10ClN3O3 and a molecular weight of 243.65 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-3-nitrophenyl)propanamide
PubChem CID43708462
Molecular FormulaC9H10ClN3O3
Molecular Weight243.65 g/mol
Exact Mass243.04
IUPAC Name2-amino-N-(4-chloro-3-nitrophenyl)propanamide
SMILESCC(N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10ClN3O3/c1-5(11)9(14)12-6-2-3-7(10)8(4-6)13(15)16/h2-5H,11H2,1H3,(H,12,14)
InChIKeyFIUXSVONRNDEGI-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

(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide
CID 61145688
N-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
CID 79195599
(2S)-2-amino-N-(3-bromo-4-nitrophenyl)propanamide
CID 82864467
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
2-amino-N-(4-chloro-3-nitrophenyl)-2-thiophen-2-ylacetamide
CID 115286307
2-amino-N-(4-chloro-3-nitrophenyl)-5-methoxypentanamide
CID 81082778
1-(4-chloro-3-nitrophenyl)-3-methylurea
CID 47173770
N-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide
CID 5206007
2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide
CID 61266189
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
N-[(2S)-1-(4-chloro-3-nitroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 55944695
[(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-phenylethyl]azanium
CID 8898657

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-3-nitrophenyl)propanamide?
The IUPAC name of 2-amino-N-(4-chloro-3-nitrophenyl)propanamide (CID 43708462) is 2-amino-N-(4-chloro-3-nitrophenyl)propanamide.
What is the SMILES notation for 2-amino-N-(4-chloro-3-nitrophenyl)propanamide?
The canonical SMILES for 2-amino-N-(4-chloro-3-nitrophenyl)propanamide is CC(N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-amino-N-(4-chloro-3-nitrophenyl)propanamide?
The InChIKey is FIUXSVONRNDEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O3/c1-5(11)9(14)12-6-2-3-7(10)8(4-6)13(15)16/h2-5H,11H2,1H3,(H,12,14).
What are the key properties of 2-amino-N-(4-chloro-3-nitrophenyl)propanamide?
2-amino-N-(4-chloro-3-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-(4-chloro-3-nitrophenyl)propanamide is sourced from PubChem (CID 43708462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).