N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride

C14H18ClF3N2O — CID 119478233

IUPACN-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H17F3N2O.ClH/c15-14(16,17)10-3-1-2-9(8-10)13(20)19-12-6-4-11(18)5-7-12;/h1-3,8,11-12H,4-7,18H2,(H,19,20);1H
InChIKeyYUYDMANTHHXDPG-UHFFFAOYSA-N
MW322.76 g/mol
LogP3.13
Rot. Bonds2

About N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride

N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119478233) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
PubChem CID119478233
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC NameN-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H17F3N2O.ClH/c15-14(16,17)10-3-1-2-9(8-10)13(20)19-12-6-4-11(18)5-7-12;/h1-3,8,11-12H,4-7,18H2,(H,19,20);1H
InChIKeyYUYDMANTHHXDPG-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43653117
3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
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N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride
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CID 59732225
N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride
CID 119478074
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
N-[4-[amino-(4-methylphenyl)methyl]cyclohexyl]-3-(trifluoromethyl)benzamide
CID 67186006
N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119475585
3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 136525672
1-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
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CID 106995588

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride (CID 119478233) is N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride is Cl.NC1CCC(NC(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is YUYDMANTHHXDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O.ClH/c15-14(16,17)10-3-1-2-9(8-10)13(20)19-12-6-4-11(18)5-7-12;/h1-3,8,11-12H,4-7,18H2,(H,19,20);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride?
N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 322.76 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119478233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).