(2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide

C15H13ClFNO2 — CID 887599

IUPAC(2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide
SMILESC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H13ClFNO2/c1-10(20-14-8-3-2-7-13(14)17)15(19)18-12-6-4-5-11(16)9-12/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyPOSKTLZSOHJKHE-JTQLQIEISA-N
MW293.73 g/mol
LogP3.89
Rot. Bonds4

About (2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide

(2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide (PubChem CID 887599) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide
PubChem CID887599
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name(2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide
SMILESC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H13ClFNO2/c1-10(20-14-8-3-2-7-13(14)17)15(19)18-12-6-4-5-11(16)9-12/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyPOSKTLZSOHJKHE-JTQLQIEISA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
(2R)-N-(2,4-dichlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815023
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3-chlorophenyl)propanamide
CID 7751006
(2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815212
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2R)-2-(2-fluorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7815253
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 3318555
(2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 31901152
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
1-(3-chlorophenyl)-2-(2-fluorophenoxy)propan-1-one
CID 43412974
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
(2R)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94016158

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide (CID 887599) is (2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide is C[C@H](Oc1ccccc1F)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide?
The InChIKey is POSKTLZSOHJKHE-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-10(20-14-8-3-2-7-13(14)17)15(19)18-12-6-4-5-11(16)9-12/h2-10H,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide?
(2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide has a molecular weight of 293.73 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide is sourced from PubChem (CID 887599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).