4-(cyclohepten-1-yl)-3-(trifluoromethyl)benzamide

C15H16F3NO — CID 143924571

IUPAC4-(cyclohepten-1-yl)-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(C2=CCCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NO/c16-15(17,18)13-9-11(14(19)20)7-8-12(13)10-5-3-1-2-4-6-10/h5,7-9H,1-4,6H2,(H2,19,20)
InChIKeyROJSTZVCMUXSNH-UHFFFAOYSA-N
MW283.29 g/mol
LogP4.15
Rot. Bonds2

About 4-(cyclohepten-1-yl)-3-(trifluoromethyl)benzamide

4-(cyclohepten-1-yl)-3-(trifluoromethyl)benzamide (PubChem CID 143924571) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-(cyclohepten-1-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(cyclohepten-1-yl)-3-(trifluoromethyl)benzamide
PubChem CID143924571
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name4-(cyclohepten-1-yl)-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(C2=CCCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NO/c16-15(17,18)13-9-11(14(19)20)7-8-12(13)10-5-3-1-2-4-6-10/h5,7-9H,1-4,6H2,(H2,19,20)
InChIKeyROJSTZVCMUXSNH-UHFFFAOYSA-N
XLogP4.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-3-(cyclohexen-1-yl)benzamide
CID 58754805
[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 66632831
[4-(cyclohexen-1-yl)-3-(trifluoromethyl)phenyl]methanamine
CID 66632832
3,4-bis(trifluoromethyl)benzamide;hydrochloride
CID 174566583
4-(cyclohexen-1-yl)-3-(trifluoromethyl)benzoic acid;[4-cyclohexyl-3-(trifluoromethyl)phenyl]methanol;iodomethane;methane;triiodovanadium
CID 158558130
2-(cyclohexen-1-yl)-1H-indole-5-carboxamide
CID 11230198
1-(cyclobuten-1-yl)-4-methyl-2-(trifluoromethyl)benzene
CID 159168162
4-cycloheptyl-3-(trifluoromethyl)benzamide
CID 143924548
4-(cyclohexen-1-yl)-3-ethylbenzoic acid
CID 59316804
cyclohexen-1-yl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 62078132
methyl 4-(cyclohexen-1-yl)-3-fluorobenzoate
CID 166570461
3-amino-4-(trifluoromethyl)benzamide
CID 70566293

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohepten-1-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-(cyclohepten-1-yl)-3-(trifluoromethyl)benzamide (CID 143924571) is 4-(cyclohepten-1-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(cyclohepten-1-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(cyclohepten-1-yl)-3-(trifluoromethyl)benzamide is NC(=O)c1ccc(C2=CCCCCC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-(cyclohepten-1-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is ROJSTZVCMUXSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c16-15(17,18)13-9-11(14(19)20)7-8-12(13)10-5-3-1-2-4-6-10/h5,7-9H,1-4,6H2,(H2,19,20).
What are the key properties of 4-(cyclohepten-1-yl)-3-(trifluoromethyl)benzamide?
4-(cyclohepten-1-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 283.29 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohepten-1-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 143924571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).