3-(4-chlorophenyl)-2,2-difluoro-3-hydroxybutanamide

C10H10ClF2NO2 — CID 163265569

IUPAC3-(4-chlorophenyl)-2,2-difluoro-3-hydroxybutanamide
SMILESCC(O)(c1ccc(Cl)cc1)C(F)(F)C(N)=O
InChIInChI=1S/C10H10ClF2NO2/c1-9(16,10(12,13)8(14)15)6-2-4-7(11)5-3-6/h2-5,16H,1H3,(H2,14,15)
InChIKeyVNQQIRGADAMQJA-UHFFFAOYSA-N
MW249.64 g/mol
LogP1.67
Rot. Bonds3

About 3-(4-chlorophenyl)-2,2-difluoro-3-hydroxybutanamide

3-(4-chlorophenyl)-2,2-difluoro-3-hydroxybutanamide (PubChem CID 163265569) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,2-difluoro-3-hydroxybutanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,2-difluoro-3-hydroxybutanamide
PubChem CID163265569
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC Name3-(4-chlorophenyl)-2,2-difluoro-3-hydroxybutanamide
SMILESCC(O)(c1ccc(Cl)cc1)C(F)(F)C(N)=O
InChIInChI=1S/C10H10ClF2NO2/c1-9(16,10(12,13)8(14)15)6-2-4-7(11)5-3-6/h2-5,16H,1H3,(H2,14,15)
InChIKeyVNQQIRGADAMQJA-UHFFFAOYSA-N
XLogP1.67
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 64814
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CID 24883321
(2R)-2-(3-chlorophenyl)-2-hydroxynonanamide
CID 24883322
3-(3-Chlorophenyl)-3-hydroxypropanamide
CID 662123
3-(4-chlorophenyl)-N,3-dihydroxypropanamide
CID 72707667
3-Chloro-3,3-difluoro-2-hydroxy-2-phenylpropanamide
CID 10955535
3-[3,5-Bis(trifluoromethyl)phenyl]-3-hydroxypentanamide
CID 11278899
3-Hydroxy-3-[3-(trifluoromethyl)phenyl]pentanamide
CID 24874359
3-[(2R)-2-(4-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropyl]cyclohex-2-en-1-one
CID 122573547
Propanamide, 3-(4-chlorophenyl)-3-hydroxy-
CID 548076
3-Hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide
CID 24874360

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,2-difluoro-3-hydroxybutanamide?
The IUPAC name of 3-(4-chlorophenyl)-2,2-difluoro-3-hydroxybutanamide (CID 163265569) is 3-(4-chlorophenyl)-2,2-difluoro-3-hydroxybutanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-2,2-difluoro-3-hydroxybutanamide?
The canonical SMILES for 3-(4-chlorophenyl)-2,2-difluoro-3-hydroxybutanamide is CC(O)(c1ccc(Cl)cc1)C(F)(F)C(N)=O.
What is the InChIKey of 3-(4-chlorophenyl)-2,2-difluoro-3-hydroxybutanamide?
The InChIKey is VNQQIRGADAMQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c1-9(16,10(12,13)8(14)15)6-2-4-7(11)5-3-6/h2-5,16H,1H3,(H2,14,15).
What are the key properties of 3-(4-chlorophenyl)-2,2-difluoro-3-hydroxybutanamide?
3-(4-chlorophenyl)-2,2-difluoro-3-hydroxybutanamide has a molecular weight of 249.64 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,2-difluoro-3-hydroxybutanamide is sourced from PubChem (CID 163265569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).