3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

C10H8ClF4NO2 — CID 113263684

IUPAC3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H8ClF4NO2/c11-6-3-5(1-2-7(6)12)9(18)16-4-8(17)10(13,14)15/h1-3,8,17H,4H2,(H,16,18)
InChIKeyHVQBNMAGPKOCSR-UHFFFAOYSA-N
MW285.62 g/mol
LogP2.13
Rot. Bonds3

About 3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (PubChem CID 113263684) has the molecular formula C10H8ClF4NO2 and a molecular weight of 285.62 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
PubChem CID113263684
Molecular FormulaC10H8ClF4NO2
Molecular Weight285.62 g/mol
Exact Mass285.02
IUPAC Name3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H8ClF4NO2/c11-6-3-5(1-2-7(6)12)9(18)16-4-8(17)10(13,14)15/h1-3,8,17H,4H2,(H,16,18)
InChIKeyHVQBNMAGPKOCSR-UHFFFAOYSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.62
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103876622
4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103773770
4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723353
3,4-dihydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113358595
3-chloro-N-(2-chloro-4,4-dimethylpentyl)-4-fluorobenzamide
CID 107156981
methyl 2-chloro-3-[(3-chloro-4-fluorobenzoyl)amino]propanoate
CID 103492768
4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103830624
4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103957412
2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid
CID 80502677
2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113248488
3-(3-chloro-4-fluoroanilino)-1,1,1-trifluoropropan-2-ol
CID 83108551
3-chloro-N-(2-cyano-2-methylpropyl)-4-fluorobenzamide
CID 113372707

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (CID 113263684) is 3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is O=C(NCC(O)C(F)(F)F)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The InChIKey is HVQBNMAGPKOCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF4NO2/c11-6-3-5(1-2-7(6)12)9(18)16-4-8(17)10(13,14)15/h1-3,8,17H,4H2,(H,16,18).
What are the key properties of 3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide has a molecular weight of 285.62 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 113263684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).