(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide

C9H10FN3O3 — CID 61145688

IUPAC(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10FN3O3/c1-5(11)9(14)12-6-2-3-7(10)8(4-6)13(15)16/h2-5H,11H2,1H3,(H,12,14)/t5-/m0/s1
InChIKeySWDVVSGDPNNKRG-YFKPBYRVSA-N
MW227.20 g/mol
LogP1.02
Rot. Bonds3

About (2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide

(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide (PubChem CID 61145688) has the molecular formula C9H10FN3O3 and a molecular weight of 227.20 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide
PubChem CID61145688
Molecular FormulaC9H10FN3O3
Molecular Weight227.20 g/mol
Exact Mass227.07
IUPAC Name(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10FN3O3/c1-5(11)9(14)12-6-2-3-7(10)8(4-6)13(15)16/h2-5H,11H2,1H3,(H,12,14)/t5-/m0/s1
InChIKeySWDVVSGDPNNKRG-YFKPBYRVSA-N
XLogP1.02
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 51.02
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

2-amino-N-(4-chloro-3-nitrophenyl)propanamide
CID 43708462
2-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)butanamide
CID 65225395
(2S)-2-amino-N-(3-bromo-4-nitrophenyl)propanamide
CID 82864467
propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate
CID 107812713
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 55387447
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 1293039
2-(3,5-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 3381118
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813030
4-fluoro-3-nitroaniline;N-(4-fluoro-3-nitrophenyl)acetamide
CID 158096795
5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide
CID 82011167
(2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 8763649

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide (CID 61145688) is (2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide is C[C@H](N)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of (2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide?
The InChIKey is SWDVVSGDPNNKRG-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10FN3O3/c1-5(11)9(14)12-6-2-3-7(10)8(4-6)13(15)16/h2-5H,11H2,1H3,(H,12,14)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide?
(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide has a molecular weight of 227.20 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide is sourced from PubChem (CID 61145688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).