N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide

C17H14F3N3O2 — CID 10089149

IUPACN-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
SMILESN#Cc1ccc(-c2ccc([C@@H](O)[C@@H](CF)NC(=O)C(F)F)cc2)cn1
InChIInChI=1S/C17H14F3N3O2/c18-7-14(23-17(25)16(19)20)15(24)11-3-1-10(2-4-11)12-5-6-13(8-21)22-9-12/h1-6,9,14-16,24H,7H2,(H,23,25)/t14-,15-/m1/s1
InChIKeyGVCWOLGVEUBDQR-HUUCEWRRSA-N
MW349.31 g/mol
LogP2.37
Rot. Bonds6

About N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide

N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide (PubChem CID 10089149) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
PubChem CID10089149
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC NameN-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
SMILESN#Cc1ccc(-c2ccc([C@@H](O)[C@@H](CF)NC(=O)C(F)F)cc2)cn1
InChIInChI=1S/C17H14F3N3O2/c18-7-14(23-17(25)16(19)20)15(24)11-3-1-10(2-4-11)12-5-6-13(8-21)22-9-12/h1-6,9,14-16,24H,7H2,(H,23,25)/t14-,15-/m1/s1
InChIKeyGVCWOLGVEUBDQR-HUUCEWRRSA-N
XLogP2.37
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide?
The IUPAC name of N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide (CID 10089149) is N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide?
The canonical SMILES for N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide is N#Cc1ccc(-c2ccc([C@@H](O)[C@@H](CF)NC(=O)C(F)F)cc2)cn1.
What is the InChIKey of N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide?
The InChIKey is GVCWOLGVEUBDQR-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c18-7-14(23-17(25)16(19)20)15(24)11-3-1-10(2-4-11)12-5-6-13(8-21)22-9-12/h1-6,9,14-16,24H,7H2,(H,23,25)/t14-,15-/m1/s1.
What are the key properties of N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide?
N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide has a molecular weight of 349.31 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 10089149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).