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

C15H22ClN3O — CID 107194659

IUPAC5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide
SMILESCC1CCC(N(C)c2c(Cl)cc(N)cc2C(N)=O)CC1
InChIInChI=1S/C15H22ClN3O/c1-9-3-5-11(6-4-9)19(2)14-12(15(18)20)7-10(17)8-13(14)16/h7-9,11H,3-6,17H2,1-2H3,(H2,18,20)
InChIKeyKICGGSJMTWMSPS-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.04
Rot. Bonds3

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

5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide (PubChem CID 107194659) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide
PubChem CID107194659
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide
SMILESCC1CCC(N(C)c2c(Cl)cc(N)cc2C(N)=O)CC1
InChIInChI=1S/C15H22ClN3O/c1-9-3-5-11(6-4-9)19(2)14-12(15(18)20)7-10(17)8-13(14)16/h7-9,11H,3-6,17H2,1-2H3,(H2,18,20)
InChIKeyKICGGSJMTWMSPS-UHFFFAOYSA-N
XLogP3.04
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzoate
CID 107194657
methyl 5-amino-3-chloro-2-[cyclohexyl(methyl)amino]benzoate
CID 107193117
ethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate
CID 107193832
3-amino-2-[methyl-(4-methylcyclohexyl)amino]benzamide
CID 112578354
5-amino-3-chloro-2-(4-methylpiperidin-1-yl)benzamide
CID 107192335
5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide
CID 107196901
5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide
CID 107195645
2,6-dichloro-1-N-cyclohexyl-1-N-methylbenzene-1,4-diamine
CID 91681222
5-amino-3-chloro-2-(N,3-dimethylanilino)benzamide
CID 107195569
5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide
CID 107195557
5-amino-3-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 107194778
5-amino-3-chloro-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]benzamide
CID 107196614

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide (CID 107194659) is 5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide is CC1CCC(N(C)c2c(Cl)cc(N)cc2C(N)=O)CC1.
What is the InChIKey of 5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide?
The InChIKey is KICGGSJMTWMSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-9-3-5-11(6-4-9)19(2)14-12(15(18)20)7-10(17)8-13(14)16/h7-9,11H,3-6,17H2,1-2H3,(H2,18,20).
What are the key properties of 5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide?
5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide has a molecular weight of 295.81 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide is sourced from PubChem (CID 107194659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).