(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide

C16H16F2N2O2 — CID 9274019

IUPAC(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide
SMILESCOc1ccccc1N[C@@H](C)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O2/c1-10(19-14-5-3-4-6-15(14)22-2)16(21)20-13-8-7-11(17)9-12(13)18/h3-10,19H,1-2H3,(H,20,21)/t10-/m0/s1
InChIKeyBVKRNPCLMVTMPC-JTQLQIEISA-N
MW306.31 g/mol
LogP3.41
Rot. Bonds5

About (2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide

(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide (PubChem CID 9274019) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is (2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide
PubChem CID9274019
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC Name(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide
SMILESCOc1ccccc1N[C@@H](C)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O2/c1-10(19-14-5-3-4-6-15(14)22-2)16(21)20-13-8-7-11(17)9-12(13)18/h3-10,19H,1-2H3,(H,20,21)/t10-/m0/s1
InChIKeyBVKRNPCLMVTMPC-JTQLQIEISA-N
XLogP3.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide
CID 51168701
N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 53286451
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 35922425
(2R)-2-(2-methoxyanilino)-N-phenylpropanamide
CID 41042195
(2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 7928579
(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 9046467
N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
CID 46747955
(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 9181885
N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide
CID 109039452
N-(2,4-difluorophenyl)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]propanamide
CID 51244088
N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide
CID 18160924

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide?
The IUPAC name of (2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide (CID 9274019) is (2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide.
What is the SMILES notation for (2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide?
The canonical SMILES for (2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide is COc1ccccc1N[C@@H](C)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of (2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide?
The InChIKey is BVKRNPCLMVTMPC-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16F2N2O2/c1-10(19-14-5-3-4-6-15(14)22-2)16(21)20-13-8-7-11(17)9-12(13)18/h3-10,19H,1-2H3,(H,20,21)/t10-/m0/s1.
What are the key properties of (2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide?
(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide has a molecular weight of 306.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide is sourced from PubChem (CID 9274019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).