4-amino-N-(2,5-dichlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide

C16H22Cl2N2O — CID 102628190

IUPAC4-amino-N-(2,5-dichlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)Nc2cc(Cl)ccc2Cl)C1(C)C
InChIInChI=1S/C16H22Cl2N2O/c1-9-13(19)7-5-11(16(9,2)3)15(21)20-14-8-10(17)4-6-12(14)18/h4,6,8-9,11,13H,5,7,19H2,1-3H3,(H,20,21)
InChIKeyZGYXOTCKMZHNNV-UHFFFAOYSA-N
MW329.27 g/mol
LogP4.33
Rot. Bonds2

About 4-amino-N-(2,5-dichlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide

4-amino-N-(2,5-dichlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 102628190) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 4-amino-N-(2,5-dichlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,5-dichlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID102628190
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name4-amino-N-(2,5-dichlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)Nc2cc(Cl)ccc2Cl)C1(C)C
InChIInChI=1S/C16H22Cl2N2O/c1-9-13(19)7-5-11(16(9,2)3)15(21)20-14-8-10(17)4-6-12(14)18/h4,6,8-9,11,13H,5,7,19H2,1-3H3,(H,20,21)
InChIKeyZGYXOTCKMZHNNV-UHFFFAOYSA-N
XLogP4.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-N-(2,5-dichlorophenyl)-2,2,3-trimethylcyclohexane-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

4-amino-N-(2-bromo-5-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629152
4-amino-N-(2-bromo-6-fluorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 107599805
2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270465
4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide
CID 102628769
N-(2,5-dichlorophenyl)-2,4,6-trioxo-1,3-diazinane-5-carboxamide
CID 134135917
N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63720795
4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145381
(2R)-N-(2,5-dichlorophenyl)oxolane-2-carboxamide
CID 1086830
(2-chlorophenyl)methyl 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate
CID 102629637
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002367
2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide
CID 142639963
4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628945

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,5-dichlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2,5-dichlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide (CID 102628190) is 4-amino-N-(2,5-dichlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2,5-dichlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2,5-dichlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)Nc2cc(Cl)ccc2Cl)C1(C)C.
What is the InChIKey of 4-amino-N-(2,5-dichlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is ZGYXOTCKMZHNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-9-13(19)7-5-11(16(9,2)3)15(21)20-14-8-10(17)4-6-12(14)18/h4,6,8-9,11,13H,5,7,19H2,1-3H3,(H,20,21).
What are the key properties of 4-amino-N-(2,5-dichlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-(2,5-dichlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 329.27 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,5-dichlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102628190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).