1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride

C19H24Cl2FN3O2 — CID 119898304

IUPAC1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)CCCCC1
InChIInChI=1S/C19H22FN3O2.2ClH/c20-16-12-14(23-18(24)19(21)9-3-1-4-10-19)7-8-17(16)25-13-15-6-2-5-11-22-15;;/h2,5-8,11-12H,1,3-4,9-10,13,21H2,(H,23,24);2*1H
InChIKeyLRHCWSWLJMIVMW-UHFFFAOYSA-N
MW416.32 g/mol
LogP4.24
Rot. Bonds5

About 1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride

1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119898304) has the molecular formula C19H24Cl2FN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is 1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119898304
Molecular FormulaC19H24Cl2FN3O2
Molecular Weight416.32 g/mol
Exact Mass415.12
IUPAC Name1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)CCCCC1
InChIInChI=1S/C19H22FN3O2.2ClH/c20-16-12-14(23-18(24)19(21)9-3-1-4-10-19)7-8-17(16)25-13-15-6-2-5-11-22-15;;/h2,5-8,11-12H,1,3-4,9-10,13,21H2,(H,23,24);2*1H
InChIKeyLRHCWSWLJMIVMW-UHFFFAOYSA-N
XLogP4.24
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119898305
4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride
CID 119898314
2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 168523388
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide
CID 166253172
1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 166284946
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 71865991
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119898286
1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
CID 119747542
3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride
CID 142684298
1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086116
4-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086111

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119898304) is 1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)CCCCC1.
What is the InChIKey of 1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is LRHCWSWLJMIVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2.2ClH/c20-16-12-14(23-18(24)19(21)9-3-1-4-10-19)7-8-17(16)25-13-15-6-2-5-11-22-15;;/h2,5-8,11-12H,1,3-4,9-10,13,21H2,(H,23,24);2*1H.
What are the key properties of 1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 416.32 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119898304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).