(2R)-N-[2-(2-fluoro-4-nitrophenyl)ethyl]-2-hydroxypropanamide

C11H13FN2O4 — CID 164545051

IUPAC(2R)-N-[2-(2-fluoro-4-nitrophenyl)ethyl]-2-hydroxypropanamide
SMILESC[C@@H](O)C(=O)NCCc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C11H13FN2O4/c1-7(15)11(16)13-5-4-8-2-3-9(14(17)18)6-10(8)12/h2-3,6-7,15H,4-5H2,1H3,(H,13,16)/t7-/m1/s1
InChIKeyRTZCVULWFITNFL-SSDOTTSWSA-N
MW256.23 g/mol
LogP0.77
Rot. Bonds5

About (2R)-N-[2-(2-fluoro-4-nitrophenyl)ethyl]-2-hydroxypropanamide

(2R)-N-[2-(2-fluoro-4-nitrophenyl)ethyl]-2-hydroxypropanamide (PubChem CID 164545051) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is (2R)-N-[2-(2-fluoro-4-nitrophenyl)ethyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-N-[2-(2-fluoro-4-nitrophenyl)ethyl]-2-hydroxypropanamide
PubChem CID164545051
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name(2R)-N-[2-(2-fluoro-4-nitrophenyl)ethyl]-2-hydroxypropanamide
SMILESC[C@@H](O)C(=O)NCCc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C11H13FN2O4/c1-7(15)11(16)13-5-4-8-2-3-9(14(17)18)6-10(8)12/h2-3,6-7,15H,4-5H2,1H3,(H,13,16)/t7-/m1/s1
InChIKeyRTZCVULWFITNFL-SSDOTTSWSA-N
XLogP0.77
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 50.77
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-(2-fluoro-4-nitrophenyl)ethylcarbamodithioic acid
CID 139721442
1-(2-fluoro-4-nitrophenyl)propan-2-ol
CID 63201423
2-chloro-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide
CID 35613298
2-(2-fluoro-4-nitrophenyl)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 97087035
2-(dimethylamino)-N-[2-(2-fluorophenyl)ethyl]-5-nitrobenzamide
CID 31746360
1-(2-fluoro-4-nitrophenyl)-N-propylpropan-2-amine
CID 63200211
2-fluoro-4-nitro-1-tetradecylbenzene
CID 141232177
(2R)-2-(2-fluoro-4-nitroanilino)propan-1-ol
CID 16659475
N-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline
CID 62589948
N-[2-(2-fluorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine
CID 43297293
(2S)-N-(2-fluoro-5-nitrophenyl)-2-methylbutanamide
CID 7270057
3-(2-fluoro-4-nitroanilino)-2-methylpropanoic acid
CID 62675552

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2-fluoro-4-nitrophenyl)ethyl]-2-hydroxypropanamide?
The IUPAC name of (2R)-N-[2-(2-fluoro-4-nitrophenyl)ethyl]-2-hydroxypropanamide (CID 164545051) is (2R)-N-[2-(2-fluoro-4-nitrophenyl)ethyl]-2-hydroxypropanamide.
What is the SMILES notation for (2R)-N-[2-(2-fluoro-4-nitrophenyl)ethyl]-2-hydroxypropanamide?
The canonical SMILES for (2R)-N-[2-(2-fluoro-4-nitrophenyl)ethyl]-2-hydroxypropanamide is C[C@@H](O)C(=O)NCCc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of (2R)-N-[2-(2-fluoro-4-nitrophenyl)ethyl]-2-hydroxypropanamide?
The InChIKey is RTZCVULWFITNFL-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13FN2O4/c1-7(15)11(16)13-5-4-8-2-3-9(14(17)18)6-10(8)12/h2-3,6-7,15H,4-5H2,1H3,(H,13,16)/t7-/m1/s1.
What are the key properties of (2R)-N-[2-(2-fluoro-4-nitrophenyl)ethyl]-2-hydroxypropanamide?
(2R)-N-[2-(2-fluoro-4-nitrophenyl)ethyl]-2-hydroxypropanamide has a molecular weight of 256.23 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2-fluoro-4-nitrophenyl)ethyl]-2-hydroxypropanamide is sourced from PubChem (CID 164545051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).