2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide

C14H17F3N2O — CID 61213533

IUPAC2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide
SMILESNc1ccccc1C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)9-5-7-10(8-6-9)19-13(20)11-3-1-2-4-12(11)18/h1-4,9-10H,5-8,18H2,(H,19,20)
InChIKeyKHDKAGMJDZOCRX-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.12
Rot. Bonds2

About 2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide

2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 61213533) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID61213533
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide
SMILESNc1ccccc1C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)9-5-7-10(8-6-9)19-13(20)11-3-1-2-4-12(11)18/h1-4,9-10H,5-8,18H2,(H,19,20)
InChIKeyKHDKAGMJDZOCRX-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 80710862
2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 60727535
3-[(2-aminobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032352
4-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide;hydrochloride
CID 119701795
3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 120608522
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
5-carbamoyl-8-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]naphthalene-1,4-dicarboxylic acid
CID 141248788
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
(2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119944243
4-amino-5-chloro-2-methoxy-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 119701825
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride
CID 119944177
3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 107980263

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide (CID 61213533) is 2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide is Nc1ccccc1C(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is KHDKAGMJDZOCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)9-5-7-10(8-6-9)19-13(20)11-3-1-2-4-12(11)18/h1-4,9-10H,5-8,18H2,(H,19,20).
What are the key properties of 2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 286.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 61213533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).