1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide

C15H20F2N2O — CID 103585988

IUPAC1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
SMILESCc1cc(F)c(NC(=O)C2(N)CCCC(C)C2)cc1F
InChIInChI=1S/C15H20F2N2O/c1-9-4-3-5-15(18,8-9)14(20)19-13-7-11(16)10(2)6-12(13)17/h6-7,9H,3-5,8,18H2,1-2H3,(H,19,20)
InChIKeyUESUWYCIWVDOBS-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.12
Rot. Bonds2

About 1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide

1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 103585988) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
PubChem CID103585988
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
SMILESCc1cc(F)c(NC(=O)C2(N)CCCC(C)C2)cc1F
InChIInChI=1S/C15H20F2N2O/c1-9-4-3-5-15(18,8-9)14(20)19-13-7-11(16)10(2)6-12(13)17/h6-7,9H,3-5,8,18H2,1-2H3,(H,19,20)
InChIKeyUESUWYCIWVDOBS-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide (CID 103585988) is 1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide is Cc1cc(F)c(NC(=O)C2(N)CCCC(C)C2)cc1F.
What is the InChIKey of 1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is UESUWYCIWVDOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-9-4-3-5-15(18,8-9)14(20)19-13-7-11(16)10(2)6-12(13)17/h6-7,9H,3-5,8,18H2,1-2H3,(H,19,20).
What are the key properties of 1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide?
1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 103585988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).