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

C18H15F3N2O2 — CID 142806634

IUPACN-[(1R,2S)-1-[4-(4-cyanophenyl)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)cc1
InChIInChI=1S/C18H15F3N2O2/c19-9-15(23-18(25)17(20)21)16(24)14-7-5-13(6-8-14)12-3-1-11(10-22)2-4-12/h1-8,15-17,24H,9H2,(H,23,25)/t15-,16-/m1/s1
InChIKeyPTUGELZXECZFHF-HZPDHXFCSA-N
MW348.32 g/mol
LogP2.98
Rot. Bonds6

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

N-[(1R,2S)-1-[4-(4-cyanophenyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide (PubChem CID 142806634) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is N-[(1R,2S)-1-[4-(4-cyanophenyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-[4-(4-cyanophenyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
PubChem CID142806634
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC NameN-[(1R,2S)-1-[4-(4-cyanophenyl)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)cc1
InChIInChI=1S/C18H15F3N2O2/c19-9-15(23-18(25)17(20)21)16(24)14-7-5-13(6-8-14)12-3-1-11(10-22)2-4-12/h1-8,15-17,24H,9H2,(H,23,25)/t15-,16-/m1/s1
InChIKeyPTUGELZXECZFHF-HZPDHXFCSA-N
XLogP2.98
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2S)-1-[4-(4-cyanophenyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[4-[6-(1-amino-2-cyanoethyl)-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 123257820
(2R)-2-amino-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]propanamide
CID 142806646
N-[1-[4-[6-(3-aminopropanoyl)-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 123922562
N-[(1S,2S)-1-[4-[6-(azetidin-3-yl)-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 90074791
2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(oxetan-3-yl)-3-pyridinyl]phenyl]propan-2-yl]acetamide
CID 90074490
2,2-difluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[6-[(methylsulfonimidoyl)methyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide
CID 162396830
2,2-difluoro-N-[3-fluoro-1-[4-[6-(3-fluoroazetidin-3-yl)-3-pyridinyl]phenyl]-1-hydroxypropan-2-yl]acetamide
CID 123441816
2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(3-hydroxyazetidin-3-yl)-3-pyridinyl]phenyl]propan-2-yl]acetamide
CID 90074936
N-[1-[4-[6-(2-amino-1-nitrosoethyl)-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 123996593
2,2-difluoro-N-[3-fluoro-1-hydroxy-1-[4-[5-(methylsulfonylmethyl)thiophen-2-yl]phenyl]propan-2-yl]acetamide
CID 123753915
N-[1-[4-(4-aminosulfanylphenyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-dichloroacetamide
CID 142806653
N-[(1R,2S)-1-[4-[6-(2-aminooxybutan-2-yl)-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 151616686

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-[4-(4-cyanophenyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide?
The IUPAC name of N-[(1R,2S)-1-[4-(4-cyanophenyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide (CID 142806634) is N-[(1R,2S)-1-[4-(4-cyanophenyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[(1R,2S)-1-[4-(4-cyanophenyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide?
The canonical SMILES for N-[(1R,2S)-1-[4-(4-cyanophenyl)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)cc1.
What is the InChIKey of N-[(1R,2S)-1-[4-(4-cyanophenyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide?
The InChIKey is PTUGELZXECZFHF-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c19-9-15(23-18(25)17(20)21)16(24)14-7-5-13(6-8-14)12-3-1-11(10-22)2-4-12/h1-8,15-17,24H,9H2,(H,23,25)/t15-,16-/m1/s1.
What are the key properties of N-[(1R,2S)-1-[4-(4-cyanophenyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide?
N-[(1R,2S)-1-[4-(4-cyanophenyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide has a molecular weight of 348.32 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-[4-(4-cyanophenyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 142806634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).