4-fluoro-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)benzamide

C14H15F4NO — CID 103737493

IUPAC4-fluoro-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)benzamide
SMILESCC1(CNC(=O)c2ccc(F)c(C(F)(F)F)c2)CCC1
InChIInChI=1S/C14H15F4NO/c1-13(5-2-6-13)8-19-12(20)9-3-4-11(15)10(7-9)14(16,17)18/h3-4,7H,2,5-6,8H2,1H3,(H,19,20)
InChIKeyQNZQUFGSPLEHIG-UHFFFAOYSA-N
MW289.27 g/mol
LogP3.76
Rot. Bonds3

About 4-fluoro-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)benzamide

4-fluoro-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 103737493) has the molecular formula C14H15F4NO and a molecular weight of 289.27 g/mol. Its IUPAC name is 4-fluoro-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID103737493
Molecular FormulaC14H15F4NO
Molecular Weight289.27 g/mol
Exact Mass289.11
IUPAC Name4-fluoro-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)benzamide
SMILESCC1(CNC(=O)c2ccc(F)c(C(F)(F)F)c2)CCC1
InChIInChI=1S/C14H15F4NO/c1-13(5-2-6-13)8-19-12(20)9-3-4-11(15)10(7-9)14(16,17)18/h3-4,7H,2,5-6,8H2,1H3,(H,19,20)
InChIKeyQNZQUFGSPLEHIG-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
4-fluoro-N-[(1-methylcyclopropyl)methyl]-3-nitrobenzamide
CID 103722148
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 60620970
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 78993906
4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 65037242
4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide
CID 113252067
3-hydroxy-4-methoxy-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103738245
4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103820345
3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid
CID 66165014
3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 81472478
4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 107300108
4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 103771258

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)benzamide (CID 103737493) is 4-fluoro-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)benzamide is CC1(CNC(=O)c2ccc(F)c(C(F)(F)F)c2)CCC1.
What is the InChIKey of 4-fluoro-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is QNZQUFGSPLEHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO/c1-13(5-2-6-13)8-19-12(20)9-3-4-11(15)10(7-9)14(16,17)18/h3-4,7H,2,5-6,8H2,1H3,(H,19,20).
What are the key properties of 4-fluoro-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)benzamide?
4-fluoro-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 289.27 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 103737493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).