(2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide

C15H13F2NO2 — CID 670052

IUPAC(2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2NO2/c1-10(20-12-5-3-2-4-6-12)15(19)18-11-7-8-13(16)14(17)9-11/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyDPBJZOQUJWPIGI-JTQLQIEISA-N
MW277.27 g/mol
LogP3.37
Rot. Bonds4

About (2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide

(2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide (PubChem CID 670052) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is (2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide
PubChem CID670052
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name(2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2NO2/c1-10(20-12-5-3-2-4-6-12)15(19)18-11-7-8-13(16)14(17)9-11/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyDPBJZOQUJWPIGI-JTQLQIEISA-N
XLogP3.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenoxy)-N-phenylpropanamide
CID 42982598
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578068
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
N-(3,5-dichlorophenyl)-2-phenoxypropanamide
CID 2886890
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
N-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133184624
(2R)-N-(3,4-difluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086749
(2R)-2-(4-fluorophenoxy)-N-naphthalen-2-ylpropanamide
CID 887383
2-carboxy-4-[[(2R)-2-phenoxypropanoyl]amino]phenolate
CID 54711881
N-(4-acetamido-3-methylphenyl)-2-phenoxypropanamide
CID 46550285
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide?
The IUPAC name of (2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide (CID 670052) is (2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide is C[C@H](Oc1ccccc1)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of (2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide?
The InChIKey is DPBJZOQUJWPIGI-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-10(20-12-5-3-2-4-6-12)15(19)18-11-7-8-13(16)14(17)9-11/h2-10H,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide?
(2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide has a molecular weight of 277.27 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide is sourced from PubChem (CID 670052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).