3-amino-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride

C22H28ClFN2O3 — CID 119809451

IUPAC3-amino-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1cccc(C(NC(=O)C2CCCC(N)C2)c2cc(F)ccc2OC)c1.Cl
InChIInChI=1S/C22H27FN2O3.ClH/c1-27-18-8-4-5-14(12-18)21(19-13-16(23)9-10-20(19)28-2)25-22(26)15-6-3-7-17(24)11-15;/h4-5,8-10,12-13,15,17,21H,3,6-7,11,24H2,1-2H3,(H,25,26);1H
InChIKeyGPWMAXWGUQYMAG-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.99
Rot. Bonds6

About 3-amino-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119809451) has the molecular formula C22H28ClFN2O3 and a molecular weight of 422.93 g/mol. Its IUPAC name is 3-amino-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119809451
Molecular FormulaC22H28ClFN2O3
Molecular Weight422.93 g/mol
Exact Mass422.18
IUPAC Name3-amino-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1cccc(C(NC(=O)C2CCCC(N)C2)c2cc(F)ccc2OC)c1.Cl
InChIInChI=1S/C22H27FN2O3.ClH/c1-27-18-8-4-5-14(12-18)21(19-13-16(23)9-10-20(19)28-2)25-22(26)15-6-3-7-17(24)11-15;/h4-5,8-10,12-13,15,17,21H,3,6-7,11,24H2,1-2H3,(H,25,26);1H
InChIKeyGPWMAXWGUQYMAG-UHFFFAOYSA-N
XLogP3.99
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

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3-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclohexane-1-carboxamide
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CID 164631617
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3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide
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CID 119765075
3-amino-N-[(3-chlorophenyl)-phenylmethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119736446
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81349509
3-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride (CID 119809451) is 3-amino-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride is COc1cccc(C(NC(=O)C2CCCC(N)C2)c2cc(F)ccc2OC)c1.Cl.
What is the InChIKey of 3-amino-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is GPWMAXWGUQYMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3.ClH/c1-27-18-8-4-5-14(12-18)21(19-13-16(23)9-10-20(19)28-2)25-22(26)15-6-3-7-17(24)11-15;/h4-5,8-10,12-13,15,17,21H,3,6-7,11,24H2,1-2H3,(H,25,26);1H.
What are the key properties of 3-amino-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 422.93 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119809451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).