2-amino-3,5-dichloro-N-cyclohexyl-N-methylbenzamide

C14H18Cl2N2O — CID 69376073

IUPAC2-amino-3,5-dichloro-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1cc(Cl)cc(Cl)c1N)C1CCCCC1
InChIInChI=1S/C14H18Cl2N2O/c1-18(10-5-3-2-4-6-10)14(19)11-7-9(15)8-12(16)13(11)17/h7-8,10H,2-6,17H2,1H3
InChIKeyRCTHPLFEUBFBAR-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.98
Rot. Bonds2

About 2-amino-3,5-dichloro-N-cyclohexyl-N-methylbenzamide

2-amino-3,5-dichloro-N-cyclohexyl-N-methylbenzamide (PubChem CID 69376073) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 2-amino-3,5-dichloro-N-cyclohexyl-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-3,5-dichloro-N-cyclohexyl-N-methylbenzamide
PubChem CID69376073
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name2-amino-3,5-dichloro-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1cc(Cl)cc(Cl)c1N)C1CCCCC1
InChIInChI=1S/C14H18Cl2N2O/c1-18(10-5-3-2-4-6-10)14(19)11-7-9(15)8-12(16)13(11)17/h7-8,10H,2-6,17H2,1H3
InChIKeyRCTHPLFEUBFBAR-UHFFFAOYSA-N
XLogP3.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-chloro-N-cyclohexyl-N-methylbenzamide
CID 16781756
5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide
CID 113222858
5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
CID 115649144
4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide
CID 112805278
3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide
CID 61101939
5-amino-N-cyclohexyl-2-fluoro-N-methylbenzamide
CID 43510713
5-amino-2-chloro-N-cyclopropyl-N-methylbenzamide
CID 43264488
2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
CID 62072600
5-amino-N-cyclooctyl-N,2-dimethylbenzamide
CID 120629477
4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide
CID 62154937
4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide
CID 55158665
4-chloro-N-cyclopentyl-N,6-dimethylpyridine-3-carboxamide
CID 81225397

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dichloro-N-cyclohexyl-N-methylbenzamide?
The IUPAC name of 2-amino-3,5-dichloro-N-cyclohexyl-N-methylbenzamide (CID 69376073) is 2-amino-3,5-dichloro-N-cyclohexyl-N-methylbenzamide.
What is the SMILES notation for 2-amino-3,5-dichloro-N-cyclohexyl-N-methylbenzamide?
The canonical SMILES for 2-amino-3,5-dichloro-N-cyclohexyl-N-methylbenzamide is CN(C(=O)c1cc(Cl)cc(Cl)c1N)C1CCCCC1.
What is the InChIKey of 2-amino-3,5-dichloro-N-cyclohexyl-N-methylbenzamide?
The InChIKey is RCTHPLFEUBFBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-18(10-5-3-2-4-6-10)14(19)11-7-9(15)8-12(16)13(11)17/h7-8,10H,2-6,17H2,1H3.
What are the key properties of 2-amino-3,5-dichloro-N-cyclohexyl-N-methylbenzamide?
2-amino-3,5-dichloro-N-cyclohexyl-N-methylbenzamide has a molecular weight of 301.22 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dichloro-N-cyclohexyl-N-methylbenzamide is sourced from PubChem (CID 69376073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).