(2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide

C9H10ClFN2O — CID 104877858

IUPAC(2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1c(F)cccc1Cl
InChIInChI=1S/C9H10ClFN2O/c1-5(12)9(14)13-8-6(10)3-2-4-7(8)11/h2-5H,12H2,1H3,(H,13,14)/t5-/m0/s1
InChIKeyYEYAUEKTZXIAIQ-YFKPBYRVSA-N
MW216.64 g/mol
LogP1.76
Rot. Bonds2

About (2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide

(2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide (PubChem CID 104877858) has the molecular formula C9H10ClFN2O and a molecular weight of 216.64 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide
PubChem CID104877858
Molecular FormulaC9H10ClFN2O
Molecular Weight216.64 g/mol
Exact Mass216.05
IUPAC Name(2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1c(F)cccc1Cl
InChIInChI=1S/C9H10ClFN2O/c1-5(12)9(14)13-8-6(10)3-2-4-7(8)11/h2-5H,12H2,1H3,(H,13,14)/t5-/m0/s1
InChIKeyYEYAUEKTZXIAIQ-YFKPBYRVSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,6-difluorophenyl)propanamide
CID 43087644
3-(2-chloro-6-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114899076
(2R)-2-amino-N-(2-chloro-6-fluorophenyl)pentanamide
CID 107570747
2-(3-aminophenyl)-N-(2-chloro-6-fluorophenyl)propanamide
CID 106591868
3-amino-N-(2-chloro-6-fluorophenyl)-2-methoxypropanamide
CID 106113926
1-(2-chloro-6-fluorophenyl)-3-methylurea
CID 21161279
N-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 78656452
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
(2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide
CID 130498725
1-(2-chloro-6-fluorophenyl)-3-(diaminomethylidene)urea
CID 3043990

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide (CID 104877858) is (2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide is C[C@H](N)C(=O)Nc1c(F)cccc1Cl.
What is the InChIKey of (2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide?
The InChIKey is YEYAUEKTZXIAIQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10ClFN2O/c1-5(12)9(14)13-8-6(10)3-2-4-7(8)11/h2-5H,12H2,1H3,(H,13,14)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide?
(2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide has a molecular weight of 216.64 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide is sourced from PubChem (CID 104877858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).