N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride

C14H18ClF3N2O — CID 119612395

IUPACN-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H17F3N2O.ClH/c15-10-5-9(6-11(16)13(10)17)14(20)19-12-4-2-1-3-8(12)7-18;/h5-6,8,12H,1-4,7,18H2,(H,19,20);1H
InChIKeyZJTCXXNNWPTEJL-UHFFFAOYSA-N
MW322.76 g/mol
LogP2.77
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride (PubChem CID 119612395) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
PubChem CID119612395
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H17F3N2O.ClH/c15-10-5-9(6-11(16)13(10)17)14(20)19-12-4-2-1-3-8(12)7-18;/h5-6,8,12H,1-4,7,18H2,(H,19,20);1H
InChIKeyZJTCXXNNWPTEJL-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119612060
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide
CID 119612061
N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide
CID 63258010
N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide
CID 113265788
N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 119611820
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 119610035
N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide
CID 82816320
N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide
CID 79749551
N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide
CID 119610034
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide
CID 119603606
N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide
CID 79692726

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride (CID 119612395) is N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride?
The InChIKey is ZJTCXXNNWPTEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O.ClH/c15-10-5-9(6-11(16)13(10)17)14(20)19-12-4-2-1-3-8(12)7-18;/h5-6,8,12H,1-4,7,18H2,(H,19,20);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride has a molecular weight of 322.76 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride is sourced from PubChem (CID 119612395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).