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

C10H8ClF4NO2 — CID 103876622

IUPAC4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H8ClF4NO2/c11-6-2-1-5(3-7(6)12)9(18)16-4-8(17)10(13,14)15/h1-3,8,17H,4H2,(H,16,18)
InChIKeySMJYJJHABUEYKK-UHFFFAOYSA-N
MW285.62 g/mol
LogP2.13
Rot. Bonds3

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

4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (PubChem CID 103876622) has the molecular formula C10H8ClF4NO2 and a molecular weight of 285.62 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
PubChem CID103876622
Molecular FormulaC10H8ClF4NO2
Molecular Weight285.62 g/mol
Exact Mass285.02
IUPAC Name4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H8ClF4NO2/c11-6-2-1-5(3-7(6)12)9(18)16-4-8(17)10(13,14)15/h1-3,8,17H,4H2,(H,16,18)
InChIKeySMJYJJHABUEYKK-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

3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113263684
4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103773770
4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
CID 103875490
3,4-dihydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113358595
4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 103876641
N-(2-bromobutyl)-4-chloro-3-fluorobenzamide
CID 107994206
N-(2-bromo-4,4-dimethylpentyl)-4-chloro-3-fluorobenzamide
CID 114025307
4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723353
4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103876642
4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide
CID 103876454
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (CID 103876622) is 4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is O=C(NCC(O)C(F)(F)F)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The InChIKey is SMJYJJHABUEYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF4NO2/c11-6-2-1-5(3-7(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 4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
4-chloro-3-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 4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 103876622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).