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

C16H23ClN2O — CID 106826067

IUPACN-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
SMILESCN(Cc1cc(N)ccc1Cl)C(=O)C1(C)CCCCC1
InChIInChI=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
InChIKeyHSDWGOCBJJIFIA-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.85
Rot. Bonds3

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 NameN-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
PubChem CID106826067
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
SMILESCN(Cc1cc(N)ccc1Cl)C(=O)C1(C)CCCCC1
InChIInChI=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
InChIKeyHSDWGOCBJJIFIA-UHFFFAOYSA-N
XLogP3.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-amino-2-chlorophenyl)methyl]-N,2-dimethylthiolane-2-carboxamide
CID 81456685
N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide
CID 114457040
methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate
CID 43551425
N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
CID 104985630
N-[(5-amino-2-chlorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 61363949
N-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide
CID 63010284
N-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide
CID 62588977
N-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 107465678
N-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide
CID 43549697
2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 55157213
1-[(5-amino-2-chlorophenyl)methyl-methylamino]propan-2-ol
CID 62333630
N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
CID 43549722

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).