3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride

C13H17ClF2N2O — CID 119673269

IUPAC3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C13H16F2N2O.ClH/c14-9-4-5-12(11(15)7-9)17-13(18)8-2-1-3-10(16)6-8;/h4-5,7-8,10H,1-3,6,16H2,(H,17,18);1H
InChIKeyIMWURFPWHXRPCA-UHFFFAOYSA-N
MW290.74 g/mol
LogP2.84
Rot. Bonds2

About 3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119673269) has the molecular formula C13H17ClF2N2O and a molecular weight of 290.74 g/mol. Its IUPAC name is 3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119673269
Molecular FormulaC13H17ClF2N2O
Molecular Weight290.74 g/mol
Exact Mass290.10
IUPAC Name3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C13H16F2N2O.ClH/c14-9-4-5-12(11(15)7-9)17-13(18)8-2-1-3-10(16)6-8;/h4-5,7-8,10H,1-3,6,16H2,(H,17,18);1H
InChIKeyIMWURFPWHXRPCA-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
CID 55146164
3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119675270
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
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119702541
cis-(1S,3R)-3-[(2,4-difluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091643
3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 63043413
N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride
CID 119705036
3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706250
3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119707997

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride (CID 119673269) is 3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)Nc2ccc(F)cc2F)C1.
What is the InChIKey of 3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is IMWURFPWHXRPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O.ClH/c14-9-4-5-12(11(15)7-9)17-13(18)8-2-1-3-10(16)6-8;/h4-5,7-8,10H,1-3,6,16H2,(H,17,18);1H.
What are the key properties of 3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 290.74 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119673269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).