(2S)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)-3-methylbutanamide

C16H16ClFN2O — CID 46226145

IUPAC(2S)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)Nc1ccc(F)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClFN2O/c1-10(2)15(11-3-5-12(17)6-4-11)16(21)20-14-8-7-13(18)9-19-14/h3-10,15H,1-2H3,(H,19,20,21)/t15-/m0/s1
InChIKeyQZYCNGMLMDYQDS-HNNXBMFYSA-N
MW306.77 g/mol
LogP4.25
Rot. Bonds4

About (2S)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)-3-methylbutanamide

(2S)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)-3-methylbutanamide (PubChem CID 46226145) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)-3-methylbutanamide
PubChem CID46226145
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name(2S)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)Nc1ccc(F)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClFN2O/c1-10(2)15(11-3-5-12(17)6-4-11)16(21)20-14-8-7-13(18)9-19-14/h3-10,15H,1-2H3,(H,19,20,21)/t15-/m0/s1
InChIKeyQZYCNGMLMDYQDS-HNNXBMFYSA-N
XLogP4.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)-3-methylbutanamide (CID 46226145) is (2S)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)-3-methylbutanamide is CC(C)[C@H](C(=O)Nc1ccc(F)cn1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)-3-methylbutanamide?
The InChIKey is QZYCNGMLMDYQDS-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-10(2)15(11-3-5-12(17)6-4-11)16(21)20-14-8-7-13(18)9-19-14/h3-10,15H,1-2H3,(H,19,20,21)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)-3-methylbutanamide?
(2S)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)-3-methylbutanamide has a molecular weight of 306.77 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-N-(5-fluoro-2-pyridinyl)-3-methylbutanamide is sourced from PubChem (CID 46226145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).