3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride

C19H21ClF2N2O — CID 119771657

IUPAC3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)C1
InChIInChI=1S/C19H20F2N2O.ClH/c20-14-6-4-12(5-7-14)17-11-15(21)8-9-18(17)23-19(24)13-2-1-3-16(22)10-13;/h4-9,11,13,16H,1-3,10,22H2,(H,23,24);1H
InChIKeyBCBYNLDXNKBDCA-UHFFFAOYSA-N
MW366.84 g/mol
LogP4.51
Rot. Bonds3

About 3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119771657) has the molecular formula C19H21ClF2N2O and a molecular weight of 366.84 g/mol. Its IUPAC name is 3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119771657
Molecular FormulaC19H21ClF2N2O
Molecular Weight366.84 g/mol
Exact Mass366.13
IUPAC Name3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)C1
InChIInChI=1S/C19H20F2N2O.ClH/c20-14-6-4-12(5-7-14)17-11-15(21)8-9-18(17)23-19(24)13-2-1-3-16(22)10-13;/h4-9,11,13,16H,1-3,10,22H2,(H,23,24);1H
InChIKeyBCBYNLDXNKBDCA-UHFFFAOYSA-N
XLogP4.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.84
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673269
3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 55147503
3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
CID 55146164
2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid
CID 63047302
N-[4-fluoro-2-(4-fluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119316629
N-[4-fluoro-2-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 119316632
3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119675270
3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119702541
3-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]cyclohexane-1-carboxamide
CID 119795110
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-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide
CID 103808505

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119771657) is 3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)C1.
What is the InChIKey of 3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is BCBYNLDXNKBDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O.ClH/c20-14-6-4-12(5-7-14)17-11-15(21)8-9-18(17)23-19(24)13-2-1-3-16(22)10-13;/h4-9,11,13,16H,1-3,10,22H2,(H,23,24);1H.
What are the key properties of 3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 366.84 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119771657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).