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

C14H20ClN3O — CID 107196901

IUPAC5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide
SMILESCC1CCC(Nc2c(Cl)cc(N)cc2C(N)=O)CC1
InChIInChI=1S/C14H20ClN3O/c1-8-2-4-10(5-3-8)18-13-11(14(17)19)6-9(16)7-12(13)15/h6-8,10,18H,2-5,16H2,1H3,(H2,17,19)
InChIKeyWYTJFSXIZAGHTN-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.01
Rot. Bonds3

About 5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide

5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide (PubChem CID 107196901) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide
PubChem CID107196901
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide
SMILESCC1CCC(Nc2c(Cl)cc(N)cc2C(N)=O)CC1
InChIInChI=1S/C14H20ClN3O/c1-8-2-4-10(5-3-8)18-13-11(14(17)19)6-9(16)7-12(13)15/h6-8,10,18H,2-5,16H2,1H3,(H2,17,19)
InChIKeyWYTJFSXIZAGHTN-UHFFFAOYSA-N
XLogP3.01
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-chloro-2-(cyclopropylamino)benzamide
CID 107192447
5-amino-3-chloro-2-(cycloheptylamino)benzamide
CID 107193767
ethyl 5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzoate
CID 107193471
5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide
CID 107196453
5-amino-3-chloro-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)benzamide
CID 107195201
5-amino-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-3-chlorobenzamide
CID 107196417
5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide
CID 107192577
5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide
CID 107194659
5-amino-3-chloro-2-[(2,4-dimethylcyclohexyl)amino]benzoic acid
CID 107195984
5-amino-3-chloro-2-(4-methylpiperidin-1-yl)benzamide
CID 107192335
2,6-dichloro-1-N-(3-methylcyclobutyl)benzene-1,4-diamine
CID 106890772
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide (CID 107196901) is 5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide is CC1CCC(Nc2c(Cl)cc(N)cc2C(N)=O)CC1.
What is the InChIKey of 5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide?
The InChIKey is WYTJFSXIZAGHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-8-2-4-10(5-3-8)18-13-11(14(17)19)6-9(16)7-12(13)15/h6-8,10,18H,2-5,16H2,1H3,(H2,17,19).
What are the key properties of 5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide?
5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide has a molecular weight of 281.79 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide is sourced from PubChem (CID 107196901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).