N-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide

C15H19F3N2O2 — CID 69105937

IUPACN-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide
SMILESNC1CCCC(NC(=O)c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)22-13-6-1-3-10(9-13)14(21)20-12-5-2-4-11(19)7-8-12/h1,3,6,9,11-12H,2,4-5,7-8,19H2,(H,20,21)
InChIKeyRWTIDUFNVJIGKH-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.97
Rot. Bonds3

About N-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide

N-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide (PubChem CID 69105937) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide
PubChem CID69105937
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide
SMILESNC1CCCC(NC(=O)c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)22-13-6-1-3-10(9-13)14(21)20-12-5-2-4-11(19)7-8-12/h1,3,6,9,11-12H,2,4-5,7-8,19H2,(H,20,21)
InChIKeyRWTIDUFNVJIGKH-UHFFFAOYSA-N
XLogP2.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide
CID 90633900
N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 119478233
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119475074
N-(4-aminocyclohexyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 119478873
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
N-cyclopropyl-3-methoxybenzamide
CID 900156
benzene-1,3-dicarbonyl chloride;cyclohexanamine;1-N,3-N-dicyclohexylbenzene-1,3-dicarboxamide
CID 157227536
N-cyclopentyl-3-phenoxybenzamide
CID 2684460
N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride
CID 119474943
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide (CID 69105937) is N-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide is NC1CCCC(NC(=O)c2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of N-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide?
The InChIKey is RWTIDUFNVJIGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c16-15(17,18)22-13-6-1-3-10(9-13)14(21)20-12-5-2-4-11(19)7-8-12/h1,3,6,9,11-12H,2,4-5,7-8,19H2,(H,20,21).
What are the key properties of N-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide?
N-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide has a molecular weight of 316.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 69105937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).