3-amino-3-(4-fluoro-3-nitrophenyl)propanamide

C9H10FN3O3 — CID 170875972

IUPAC3-amino-3-(4-fluoro-3-nitrophenyl)propanamide
SMILESNC(=O)CC(N)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10FN3O3/c10-6-2-1-5(3-8(6)13(15)16)7(11)4-9(12)14/h1-3,7H,4,11H2,(H2,12,14)
InChIKeyPAXMXYGOCLDCBY-UHFFFAOYSA-N
MW227.20 g/mol
LogP0.61
Rot. Bonds4

About 3-amino-3-(4-fluoro-3-nitrophenyl)propanamide

3-amino-3-(4-fluoro-3-nitrophenyl)propanamide (PubChem CID 170875972) has the molecular formula C9H10FN3O3 and a molecular weight of 227.20 g/mol. Its IUPAC name is 3-amino-3-(4-fluoro-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-amino-3-(4-fluoro-3-nitrophenyl)propanamide
PubChem CID170875972
Molecular FormulaC9H10FN3O3
Molecular Weight227.20 g/mol
Exact Mass227.07
IUPAC Name3-amino-3-(4-fluoro-3-nitrophenyl)propanamide
SMILESNC(=O)CC(N)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10FN3O3/c10-6-2-1-5(3-8(6)13(15)16)7(11)4-9(12)14/h1-3,7H,4,11H2,(H2,12,14)
InChIKeyPAXMXYGOCLDCBY-UHFFFAOYSA-N
XLogP0.61
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 50.61
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-3-(4-fluoro-3-nitrophenyl)propanoic acid
CID 52950301
ethyl (3S)-3-amino-3-(4-fluoro-3-nitrophenyl)propanoate;hydrochloride
CID 171226600
(2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride
CID 171226598
1-(4-fluoro-3-nitrophenyl)propan-1-amine
CID 55272353
(1R)-1-(4-fluoro-3-nitrophenyl)butane-1,4-diamine
CID 171206979
(3S)-3-amino-3-(4-fluoro-3-nitrophenyl)propanenitrile
CID 131558946
(3S)-3-(4-fluoro-3-nitrophenyl)-3-hydroxypropanoic acid
CID 95997423
1-(4-fluoro-3-nitrophenyl)ethanamine
CID 55283100
3-amino-3-(3-nitrophenyl)propanamide
CID 18949390
(2S)-2-(4-fluoro-3-nitrophenyl)-2-hydroxyacetic acid
CID 131433935
(1S)-1-(4-fluoro-3-nitrophenyl)-2,2-dimethylpropan-1-amine
CID 131625230
(1S)-2,2,2-trifluoro-1-(4-fluoro-3-nitrophenyl)ethanamine
CID 66511172

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-fluoro-3-nitrophenyl)propanamide?
The IUPAC name of 3-amino-3-(4-fluoro-3-nitrophenyl)propanamide (CID 170875972) is 3-amino-3-(4-fluoro-3-nitrophenyl)propanamide.
What is the SMILES notation for 3-amino-3-(4-fluoro-3-nitrophenyl)propanamide?
The canonical SMILES for 3-amino-3-(4-fluoro-3-nitrophenyl)propanamide is NC(=O)CC(N)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 3-amino-3-(4-fluoro-3-nitrophenyl)propanamide?
The InChIKey is PAXMXYGOCLDCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O3/c10-6-2-1-5(3-8(6)13(15)16)7(11)4-9(12)14/h1-3,7H,4,11H2,(H2,12,14).
What are the key properties of 3-amino-3-(4-fluoro-3-nitrophenyl)propanamide?
3-amino-3-(4-fluoro-3-nitrophenyl)propanamide has a molecular weight of 227.20 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-fluoro-3-nitrophenyl)propanamide is sourced from PubChem (CID 170875972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).