N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-phenylacetamide

C16H13ClF3NO2 — CID 22475352

IUPACN-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-phenylacetamide
SMILESO=C(Nc1ccc(Cl)c(CCO)c1F)C(F)(F)c1ccccc1
InChIInChI=1S/C16H13ClF3NO2/c17-12-6-7-13(14(18)11(12)8-9-22)21-15(23)16(19,20)10-4-2-1-3-5-10/h1-7,22H,8-9H2,(H,21,23)
InChIKeyWFGXCIISSMQDRC-UHFFFAOYSA-N
MW343.73 g/mol
LogP3.74
Rot. Bonds5

About N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-phenylacetamide

N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-phenylacetamide (PubChem CID 22475352) has the molecular formula C16H13ClF3NO2 and a molecular weight of 343.73 g/mol. Its IUPAC name is N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-phenylacetamide
PubChem CID22475352
Molecular FormulaC16H13ClF3NO2
Molecular Weight343.73 g/mol
Exact Mass343.06
IUPAC NameN-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-phenylacetamide
SMILESO=C(Nc1ccc(Cl)c(CCO)c1F)C(F)(F)c1ccccc1
InChIInChI=1S/C16H13ClF3NO2/c17-12-6-7-13(14(18)11(12)8-9-22)21-15(23)16(19,20)10-4-2-1-3-5-10/h1-7,22H,8-9H2,(H,21,23)
InChIKeyWFGXCIISSMQDRC-UHFFFAOYSA-N
XLogP3.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[3-(2-hydroxyethyl)phenyl]urea
CID 70681468
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[2-(3-hydroxypropyl)phenyl]urea
CID 70685694
2-(2-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 72163308
N-[4-Chloro-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 573195
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-4-phenylbutanamide
CID 44460017
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide
CID 874833
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylbutanamide
CID 803704
(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylbutanamide
CID 803705
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylbutanamide
CID 2923882
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(hydroxymethyl)benzamide
CID 4851162
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-3-phenylpropanamide
CID 44460015
(2-Chloro-4-fluorophenyl)-n-(4-chlorophenyl)hydroxyacetamide
CID 18752937

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-phenylacetamide?
The IUPAC name of N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-phenylacetamide (CID 22475352) is N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-phenylacetamide.
What is the SMILES notation for N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-phenylacetamide?
The canonical SMILES for N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-phenylacetamide is O=C(Nc1ccc(Cl)c(CCO)c1F)C(F)(F)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-phenylacetamide?
The InChIKey is WFGXCIISSMQDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO2/c17-12-6-7-13(14(18)11(12)8-9-22)21-15(23)16(19,20)10-4-2-1-3-5-10/h1-7,22H,8-9H2,(H,21,23).
What are the key properties of N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-phenylacetamide?
N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-phenylacetamide has a molecular weight of 343.73 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-phenylacetamide is sourced from PubChem (CID 22475352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).