4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide

C15H20ClFN2O — CID 60936764

IUPAC4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C1CCC(N)CC1
InChIInChI=1S/C15H20ClFN2O/c1-19(9-12-13(16)3-2-4-14(12)17)15(20)10-5-7-11(18)8-6-10/h2-4,10-11H,5-9,18H2,1H3
InChIKeyREDSAVNQMTVIKK-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.95
Rot. Bonds3

About 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide

4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 60936764) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
PubChem CID60936764
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C1CCC(N)CC1
InChIInChI=1S/C15H20ClFN2O/c1-19(9-12-13(16)3-2-4-14(12)17)15(20)10-5-7-11(18)8-6-10/h2-4,10-11H,5-9,18H2,1H3
InChIKeyREDSAVNQMTVIKK-UHFFFAOYSA-N
XLogP2.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide (CID 60936764) is 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is REDSAVNQMTVIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c1-19(9-12-13(16)3-2-4-14(12)17)15(20)10-5-7-11(18)8-6-10/h2-4,10-11H,5-9,18H2,1H3.
What are the key properties of 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide?
4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 298.79 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 60936764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).