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

C10H8ClF4NO2 — CID 103723353

IUPAC4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc(Cl)cc1F
InChIInChI=1S/C10H8ClF4NO2/c11-5-1-2-6(7(12)3-5)9(18)16-4-8(17)10(13,14)15/h1-3,8,17H,4H2,(H,16,18)
InChIKeyPEORRWIDJLYPOC-UHFFFAOYSA-N
MW285.62 g/mol
LogP2.13
Rot. Bonds3

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

4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (PubChem CID 103723353) has the molecular formula C10H8ClF4NO2 and a molecular weight of 285.62 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
PubChem CID103723353
Molecular FormulaC10H8ClF4NO2
Molecular Weight285.62 g/mol
Exact Mass285.02
IUPAC Name4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc(Cl)cc1F
InChIInChI=1S/C10H8ClF4NO2/c11-5-1-2-6(7(12)3-5)9(18)16-4-8(17)10(13,14)15/h1-3,8,17H,4H2,(H,16,18)
InChIKeyPEORRWIDJLYPOC-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

2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113248488
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide
CID 107261069
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 167783306
3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113263684
4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915104
4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 51681217
4-bromo-2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113248495
4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103876622
2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103883092
4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500505
N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride
CID 119405370
3-(4-chloro-2-fluoroanilino)-1,1,1-trifluoropropan-2-ol
CID 63901070

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (CID 103723353) is 4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is O=C(NCC(O)C(F)(F)F)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The InChIKey is PEORRWIDJLYPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF4NO2/c11-5-1-2-6(7(12)3-5)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-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
4-chloro-2-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-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 103723353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).