3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide

C15H20Cl2N2O — CID 63045904

IUPAC3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1CCCC(N)C1
InChIInChI=1S/C15H20Cl2N2O/c1-19(9-10-5-12(16)8-13(17)6-10)15(20)11-3-2-4-14(18)7-11/h5-6,8,11,14H,2-4,7,9,18H2,1H3
InChIKeySUESIYKCCRAANT-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.47
Rot. Bonds3

About 3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide

3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 63045904) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
PubChem CID63045904
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1CCCC(N)C1
InChIInChI=1S/C15H20Cl2N2O/c1-19(9-10-5-12(16)8-13(17)6-10)15(20)11-3-2-4-14(18)7-11/h5-6,8,11,14H,2-4,7,9,18H2,1H3
InChIKeySUESIYKCCRAANT-UHFFFAOYSA-N
XLogP3.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide (CID 63045904) is 3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide is CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is SUESIYKCCRAANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-19(9-10-5-12(16)8-13(17)6-10)15(20)11-3-2-4-14(18)7-11/h5-6,8,11,14H,2-4,7,9,18H2,1H3.
What are the key properties of 3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide?
3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 315.24 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 63045904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).