N-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide

C₁₆H₂₃ClN₂O — CID 106826067

About N-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide

N-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide (PubChem CID 106826067) has the molecular formula C₁₆H₂₃ClN₂O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
• PubChem CID: 106826067
• Molecular Formula: C₁₆H₂₃ClN₂O
• Molecular Weight: 294.83 g/mol
• Exact Mass: 294.15
• IUPAC Name: N-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
• SMILES: CN(Cc1cc(N)ccc1Cl)C(=O)C1(C)CCCCC1
• InChI: InChI=1S/C16H23ClN2O/c1-16(8-4-3-5-9-16)15(20)19(2)11-12-10-13(18)6-7-14(12)17/h6-7,10H,3-5,8-9,11,18H2,1-2H3
• InChIKey: HSDWGOCBJJIFIA-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 46.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.83
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide?

The IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide (CID 106826067) is N-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide.

What is the SMILES notation for N-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide?

The canonical SMILES for N-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide is CN(Cc1cc(N)ccc1Cl)C(=O)C1(C)CCCCC1.

What is the InChIKey of N-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide?

The InChIKey is HSDWGOCBJJIFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-16(8-4-3-5-9-16)15(20)19(2)11-12-10-13(18)6-7-14(12)17/h6-7,10H,3-5,8-9,11,18H2,1-2H3.

What are the key properties of N-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide?

N-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 106826067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106826067 — identifiers, structure, computed properties (public domain)

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