(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)-3-phenylpropanamide

C15H13ClF2N2O — CID 83072762

IUPAC(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C15H13ClF2N2O/c16-11-7-10(17)8-12(18)14(11)20-15(21)13(19)6-9-4-2-1-3-5-9/h1-5,7-8,13H,6,19H2,(H,20,21)/t13-/m0/s1
InChIKeyLIXIQYKXXMMUIF-ZDUSSCGKSA-N
MW310.73 g/mol
LogP3.13
Rot. Bonds4

About (2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)-3-phenylpropanamide

(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)-3-phenylpropanamide (PubChem CID 83072762) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)-3-phenylpropanamide
PubChem CID83072762
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC Name(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C15H13ClF2N2O/c16-11-7-10(17)8-12(18)14(11)20-15(21)13(19)6-9-4-2-1-3-5-9/h1-5,7-8,13H,6,19H2,(H,20,21)/t13-/m0/s1
InChIKeyLIXIQYKXXMMUIF-ZDUSSCGKSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83088281
(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83087285
2-amino-N-(3,5-difluorophenyl)-3-phenylpropanamide
CID 24703610
(2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide
CID 107365994
2-amino-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 24708745
2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide
CID 107574453
(2S)-2-amino-N-(3-fluorophenyl)-3-phenylpropanamide
CID 22691298
(2S)-2-amino-N-(2,6-dichloro-3-methylphenyl)-3-phenylpropanamide
CID 61148146
(2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide
CID 124864491
(2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904689
2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76892216
2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 77067964

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)-3-phenylpropanamide (CID 83072762) is (2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of (2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)-3-phenylpropanamide?
The InChIKey is LIXIQYKXXMMUIF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13ClF2N2O/c16-11-7-10(17)8-12(18)14(11)20-15(21)13(19)6-9-4-2-1-3-5-9/h1-5,7-8,13H,6,19H2,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)-3-phenylpropanamide?
(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)-3-phenylpropanamide has a molecular weight of 310.73 g/mol, XLogP of 3.13, 4 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-4,6-difluorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 83072762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).