3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride

C15H19ClF4N2O2 — CID 119702541

IUPAC3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)C1
InChIInChI=1S/C15H18F4N2O2.ClH/c16-10-4-5-13(23-8-15(17,18)19)12(7-10)21-14(22)9-2-1-3-11(20)6-9;/h4-5,7,9,11H,1-3,6,8,20H2,(H,21,22);1H
InChIKeyHRHLZOUHDVYNAW-UHFFFAOYSA-N
MW370.77 g/mol
LogP3.64
Rot. Bonds4

About 3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119702541) has the molecular formula C15H19ClF4N2O2 and a molecular weight of 370.77 g/mol. Its IUPAC name is 3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119702541
Molecular FormulaC15H19ClF4N2O2
Molecular Weight370.77 g/mol
Exact Mass370.11
IUPAC Name3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)C1
InChIInChI=1S/C15H18F4N2O2.ClH/c16-10-4-5-13(23-8-15(17,18)19)12(7-10)21-14(22)9-2-1-3-11(20)6-9;/h4-5,7,9,11H,1-3,6,8,20H2,(H,21,22);1H
InChIKeyHRHLZOUHDVYNAW-UHFFFAOYSA-N
XLogP3.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.77
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide
CID 119702540
3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
CID 55146164
3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673269
3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
CID 119717609
3-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119785467
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119698618
3-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide
CID 119785468
3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119771657
3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 55147503
2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid
CID 63047302
3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119725658
3-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]cyclohexane-1-carboxamide
CID 119795110

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119702541) is 3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)C1.
What is the InChIKey of 3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is HRHLZOUHDVYNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4N2O2.ClH/c16-10-4-5-13(23-8-15(17,18)19)12(7-10)21-14(22)9-2-1-3-11(20)6-9;/h4-5,7,9,11H,1-3,6,8,20H2,(H,21,22);1H.
What are the key properties of 3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 370.77 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119702541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).