4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide

C14H17F4NO2 — CID 103771258

IUPAC4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide
SMILESCC(C)CC(O)CNC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F4NO2/c1-8(2)5-10(20)7-19-13(21)9-3-4-12(15)11(6-9)14(16,17)18/h3-4,6,8,10,20H,5,7H2,1-2H3,(H,19,21)
InChIKeyOOTCVUMOIYGKQL-UHFFFAOYSA-N
MW307.29 g/mol
LogP2.98
Rot. Bonds5

About 4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide

4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide (PubChem CID 103771258) has the molecular formula C14H17F4NO2 and a molecular weight of 307.29 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide
PubChem CID103771258
Molecular FormulaC14H17F4NO2
Molecular Weight307.29 g/mol
Exact Mass307.12
IUPAC Name4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide
SMILESCC(C)CC(O)CNC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F4NO2/c1-8(2)5-10(20)7-19-13(21)9-3-4-12(15)11(6-9)14(16,17)18/h3-4,6,8,10,20H,5,7H2,1-2H3,(H,19,21)
InChIKeyOOTCVUMOIYGKQL-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 65037242
3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid
CID 66165014
4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 107300108
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103771049
4-fluoro-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-3-(trifluoromethyl)benzamide
CID 95314936
N-[(2R)-2-amino-2-cyclopropylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 124550256
4-bromo-N-(2-hydroxy-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 103925349
3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide
CID 103770930
3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103770831
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 78993906
3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103842950

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide (CID 103771258) is 4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide is CC(C)CC(O)CNC(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide?
The InChIKey is OOTCVUMOIYGKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO2/c1-8(2)5-10(20)7-19-13(21)9-3-4-12(15)11(6-9)14(16,17)18/h3-4,6,8,10,20H,5,7H2,1-2H3,(H,19,21).
What are the key properties of 4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide?
4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide has a molecular weight of 307.29 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 103771258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).