4-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide;hydrochloride

C14H18ClF3N2O — CID 119701795

IUPAC4-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide;hydrochloride
SMILESCl.Nc1ccc(C(=O)NC2CCC(C(F)(F)F)CC2)cc1
InChIInChI=1S/C14H17F3N2O.ClH/c15-14(16,17)10-3-7-12(8-4-10)19-13(20)9-1-5-11(18)6-2-9;/h1-2,5-6,10,12H,3-4,7-8,18H2,(H,19,20);1H
InChIKeySKZHSUDSTOYVIN-UHFFFAOYSA-N
MW322.76 g/mol
LogP3.54
Rot. Bonds2

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

4-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide;hydrochloride (PubChem CID 119701795) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is 4-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide;hydrochloride
PubChem CID119701795
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC Name4-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide;hydrochloride
SMILESCl.Nc1ccc(C(=O)NC2CCC(C(F)(F)F)CC2)cc1
InChIInChI=1S/C14H17F3N2O.ClH/c15-14(16,17)10-3-7-12(8-4-10)19-13(20)9-1-5-11(18)6-2-9;/h1-2,5-6,10,12H,3-4,7-8,18H2,(H,19,20);1H
InChIKeySKZHSUDSTOYVIN-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
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

4-amino-N-cyclohexylbenzamide;hydrochloride
CID 83814043
2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 61213533
3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 103706617
3,5-dibromo-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 107980263
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
4-amino-N-(3,4-dimethylcyclohexyl)benzamide
CID 64738901
4-amino-N-(4-piperidin-1-ylcyclohexyl)benzamide
CID 143211763
4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
methyl 3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]benzoate
CID 47048188
N-cyclopropyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374815
4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide;hydrochloride?
The IUPAC name of 4-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide;hydrochloride (CID 119701795) is 4-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide;hydrochloride?
The canonical SMILES for 4-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide;hydrochloride is Cl.Nc1ccc(C(=O)NC2CCC(C(F)(F)F)CC2)cc1.
What is the InChIKey of 4-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide;hydrochloride?
The InChIKey is SKZHSUDSTOYVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O.ClH/c15-14(16,17)10-3-7-12(8-4-10)19-13(20)9-1-5-11(18)6-2-9;/h1-2,5-6,10,12H,3-4,7-8,18H2,(H,19,20);1H.
What are the key properties of 4-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide;hydrochloride?
4-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide;hydrochloride has a molecular weight of 322.76 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide;hydrochloride is sourced from PubChem (CID 119701795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).