3-amino-N-(3-nitrophenyl)butanamide;hydrochloride

C10H14ClN3O3 — CID 119670764

IUPAC3-amino-N-(3-nitrophenyl)butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1cccc([N+](=O)[O-])c1.Cl
InChIInChI=1S/C10H13N3O3.ClH/c1-7(11)5-10(14)12-8-3-2-4-9(6-8)13(15)16;/h2-4,6-7H,5,11H2,1H3,(H,12,14);1H
InChIKeyCBWCFYREJOSHJS-UHFFFAOYSA-N
MW259.69 g/mol
LogP1.69
Rot. Bonds4

About 3-amino-N-(3-nitrophenyl)butanamide;hydrochloride

3-amino-N-(3-nitrophenyl)butanamide;hydrochloride (PubChem CID 119670764) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 3-amino-N-(3-nitrophenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-nitrophenyl)butanamide;hydrochloride
PubChem CID119670764
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name3-amino-N-(3-nitrophenyl)butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1cccc([N+](=O)[O-])c1.Cl
InChIInChI=1S/C10H13N3O3.ClH/c1-7(11)5-10(14)12-8-3-2-4-9(6-8)13(15)16;/h2-4,6-7H,5,11H2,1H3,(H,12,14);1H
InChIKeyCBWCFYREJOSHJS-UHFFFAOYSA-N
XLogP1.69
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 51.69
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-methyl-N-(3-nitrophenyl)butanamide
CID 4312967
3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119702026
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
N-[4-(3-nitroanilino)-4-oxobutan-2-yl]benzamide
CID 51194826
N-(3-nitrophenyl)-3-(propan-2-ylamino)propanamide
CID 60716474
3-amino-N-(3-hydroxyphenyl)butanamide
CID 61165718
(2S)-2-amino-3-methyl-N-(3-nitrophenyl)pentanamide
CID 61172453
(2R)-2-(3-methylbutylamino)-4-(3-nitroanilino)-4-oxobutanoic acid
CID 2206631
N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119710490
(2S)-2-amino-3,3-dimethyl-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670754
[2-(3-nitroanilino)-2-oxoethyl] 2-ethylbutanoate
CID 2358702
3-(methylamino)-N-(3-nitrophenyl)propanamide
CID 60716317

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-nitrophenyl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-nitrophenyl)butanamide;hydrochloride (CID 119670764) is 3-amino-N-(3-nitrophenyl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-nitrophenyl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-nitrophenyl)butanamide;hydrochloride is CC(N)CC(=O)Nc1cccc([N+](=O)[O-])c1.Cl.
What is the InChIKey of 3-amino-N-(3-nitrophenyl)butanamide;hydrochloride?
The InChIKey is CBWCFYREJOSHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3.ClH/c1-7(11)5-10(14)12-8-3-2-4-9(6-8)13(15)16;/h2-4,6-7H,5,11H2,1H3,(H,12,14);1H.
What are the key properties of 3-amino-N-(3-nitrophenyl)butanamide;hydrochloride?
3-amino-N-(3-nitrophenyl)butanamide;hydrochloride has a molecular weight of 259.69 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-nitrophenyl)butanamide;hydrochloride is sourced from PubChem (CID 119670764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).