3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide

C16H23ClN2O — CID 115930557

IUPAC3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide
SMILESCC1CCC(CCNC(=O)c2cccc(N)c2Cl)CC1
InChIInChI=1S/C16H23ClN2O/c1-11-5-7-12(8-6-11)9-10-19-16(20)13-3-2-4-14(18)15(13)17/h2-4,11-12H,5-10,18H2,1H3,(H,19,20)
InChIKeyZBZBHOOCJGJMOD-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.87
Rot. Bonds4

About 3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide

3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide (PubChem CID 115930557) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide
PubChem CID115930557
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide
SMILESCC1CCC(CCNC(=O)c2cccc(N)c2Cl)CC1
InChIInChI=1S/C16H23ClN2O/c1-11-5-7-12(8-6-11)9-10-19-16(20)13-3-2-4-14(18)15(13)17/h2-4,11-12H,5-10,18H2,1H3,(H,19,20)
InChIKeyZBZBHOOCJGJMOD-UHFFFAOYSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide
CID 114036166
3-amino-2-chloro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 112575789
3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
CID 112575924
N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide
CID 114344475
3-amino-2-chloro-N-(3-ethoxypropyl)benzamide
CID 112574223
2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide
CID 115540134
3-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 112576097
5-chloro-N-[2-(4-methylcyclohexyl)ethyl]furan-2-carboxamide
CID 106686875
2,5-dichloro-N-[2-(4-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 114918550
N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide
CID 103708603
3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 112575773
2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide
CID 114372404

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide (CID 115930557) is 3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide is CC1CCC(CCNC(=O)c2cccc(N)c2Cl)CC1.
What is the InChIKey of 3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide?
The InChIKey is ZBZBHOOCJGJMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11-5-7-12(8-6-11)9-10-19-16(20)13-3-2-4-14(18)15(13)17/h2-4,11-12H,5-10,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide?
3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide has a molecular weight of 294.83 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide is sourced from PubChem (CID 115930557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).