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

C10H12ClN3O3 — CID 60837665

IUPAC3-amino-N-(4-chloro-2-nitrophenyl)butanamide
SMILESCC(N)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12ClN3O3/c1-6(12)4-10(15)13-8-3-2-7(11)5-9(8)14(16)17/h2-3,5-6H,4,12H2,1H3,(H,13,15)
InChIKeyPLZDEKJKBBTXRM-UHFFFAOYSA-N
MW257.68 g/mol
LogP1.92
Rot. Bonds4

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

3-amino-N-(4-chloro-2-nitrophenyl)butanamide (PubChem CID 60837665) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is 3-amino-N-(4-chloro-2-nitrophenyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(4-chloro-2-nitrophenyl)butanamide
PubChem CID60837665
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name3-amino-N-(4-chloro-2-nitrophenyl)butanamide
SMILESCC(N)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12ClN3O3/c1-6(12)4-10(15)13-8-3-2-7(11)5-9(8)14(16)17/h2-3,5-6H,4,12H2,1H3,(H,13,15)
InChIKeyPLZDEKJKBBTXRM-UHFFFAOYSA-N
XLogP1.92
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 51.92
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

3-amino-N-(4-methoxy-2-nitrophenyl)butanamide
CID 60835998
3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride
CID 120873520
N-[(4-chloro-2-nitrophenyl)carbamothioyl]-3-methylbutanamide
CID 4948454
[2-(4-chloro-2-nitroanilino)-2-oxoethyl]-[(1R)-1-(4-propan-2-ylphenyl)ethyl]azanium
CID 9262403
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7969518
N-(4-chloro-2-nitrophenyl)-2-ethoxyacetamide
CID 60719107
3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide
CID 120872763
N-(4-chloro-2-nitrophenyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide
CID 111108098
N-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898566
3-amino-N-(2,4-dimethyl-5-nitrophenyl)butanamide
CID 113449732
(2S)-2-amino-N-(4-chloro-2-nitrophenyl)-2-phenylacetamide
CID 104897258
N-(4-chloro-2-nitrophenyl)-2-oxobutanamide
CID 54214320

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chloro-2-nitrophenyl)butanamide?
The IUPAC name of 3-amino-N-(4-chloro-2-nitrophenyl)butanamide (CID 60837665) is 3-amino-N-(4-chloro-2-nitrophenyl)butanamide.
What is the SMILES notation for 3-amino-N-(4-chloro-2-nitrophenyl)butanamide?
The canonical SMILES for 3-amino-N-(4-chloro-2-nitrophenyl)butanamide is CC(N)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 3-amino-N-(4-chloro-2-nitrophenyl)butanamide?
The InChIKey is PLZDEKJKBBTXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c1-6(12)4-10(15)13-8-3-2-7(11)5-9(8)14(16)17/h2-3,5-6H,4,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-N-(4-chloro-2-nitrophenyl)butanamide?
3-amino-N-(4-chloro-2-nitrophenyl)butanamide has a molecular weight of 257.68 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chloro-2-nitrophenyl)butanamide is sourced from PubChem (CID 60837665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).