N-(4-aminocyclohexyl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride

C14H18ClF3N2O2 — CID 119475467

IUPACN-(4-aminocyclohexyl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2ccc(F)cc2OC(F)F)CC1
InChIInChI=1S/C14H17F3N2O2.ClH/c15-8-1-6-11(12(7-8)21-14(16)17)13(20)19-10-4-2-9(18)3-5-10;/h1,6-7,9-10,14H,2-5,18H2,(H,19,20);1H
InChIKeyMZVRWULFVUSNHX-UHFFFAOYSA-N
MW338.76 g/mol
LogP2.85
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride

N-(4-aminocyclohexyl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride (PubChem CID 119475467) has the molecular formula C14H18ClF3N2O2 and a molecular weight of 338.76 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride
PubChem CID119475467
Molecular FormulaC14H18ClF3N2O2
Molecular Weight338.76 g/mol
Exact Mass338.10
IUPAC NameN-(4-aminocyclohexyl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2ccc(F)cc2OC(F)F)CC1
InChIInChI=1S/C14H17F3N2O2.ClH/c15-8-1-6-11(12(7-8)21-14(16)17)13(20)19-10-4-2-9(18)3-5-10;/h1,6-7,9-10,14H,2-5,18H2,(H,19,20);1H
InChIKeyMZVRWULFVUSNHX-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-[2-(difluoromethoxy)-4-fluorophenyl]methanone;hydrochloride
CID 119373762
N-cyclopropyl-4-fluoro-2-methoxybenzamide
CID 162421278
N-(4-aminocyclohexyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119478924
N-[2-(cyclohexylamino)-2-oxoethyl]-2-(difluoromethoxy)-4-fluorobenzamide
CID 71977709
N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 113281549
N-(4-aminocyclohexyl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride
CID 119475380
N-cyclopropyl-4-fluoro-2-(2-hydroxypropoxy)benzamide
CID 174428773
N-(4-aminocyclohexyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride
CID 119478485
N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
CID 62313125
N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide
CID 55062535
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide
CID 63110662

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride (CID 119475467) is N-(4-aminocyclohexyl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride is Cl.NC1CCC(NC(=O)c2ccc(F)cc2OC(F)F)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride?
The InChIKey is MZVRWULFVUSNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2.ClH/c15-8-1-6-11(12(7-8)21-14(16)17)13(20)19-10-4-2-9(18)3-5-10;/h1,6-7,9-10,14H,2-5,18H2,(H,19,20);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride?
N-(4-aminocyclohexyl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride has a molecular weight of 338.76 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119475467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).