5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide

C16H24ClN3O — CID 107196453

IUPAC5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide
SMILESCC(C)C1CCCCC1Nc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C16H24ClN3O/c1-9(2)11-5-3-4-6-14(11)20-15-12(16(19)21)7-10(18)8-13(15)17/h7-9,11,14,20H,3-6,18H2,1-2H3,(H2,19,21)
InChIKeyAUTWCTPPRYINJI-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.65
Rot. Bonds4

About 5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide

5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide (PubChem CID 107196453) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide
PubChem CID107196453
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide
SMILESCC(C)C1CCCCC1Nc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C16H24ClN3O/c1-9(2)11-5-3-4-6-14(11)20-15-12(16(19)21)7-10(18)8-13(15)17/h7-9,11,14,20H,3-6,18H2,1-2H3,(H2,19,21)
InChIKeyAUTWCTPPRYINJI-UHFFFAOYSA-N
XLogP3.65
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.65
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-(cycloheptylamino)benzamide
CID 107193767
5-amino-3-chloro-2-(cyclopropylamino)benzamide
CID 107192447
5-amino-3-chloro-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)benzamide
CID 107195201
5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide
CID 107196901
2,6-dichloro-4-fluoro-N-(2-propan-2-ylcyclohexyl)aniline
CID 83078747
4-amino-2-chloro-N-(2-propan-2-ylcyclohexyl)benzamide;hydrochloride
CID 119775791
5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide
CID 107196159
5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide
CID 107194825
2-chloro-4,6-difluoro-N-(2-propan-2-ylcyclohexyl)aniline
CID 83081176
5-amino-3-chloro-2-[(1-methylcyclobutyl)amino]benzamide
CID 107196745
5-amino-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-3-chlorobenzamide
CID 107196417
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide (CID 107196453) is 5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide is CC(C)C1CCCCC1Nc1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide?
The InChIKey is AUTWCTPPRYINJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-9(2)11-5-3-4-6-14(11)20-15-12(16(19)21)7-10(18)8-13(15)17/h7-9,11,14,20H,3-6,18H2,1-2H3,(H2,19,21).
What are the key properties of 5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide?
5-amino-3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]benzamide has a molecular weight of 309.84 g/mol, XLogP of 3.65, 4 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-[(2-propan-2-ylcyclohexyl)amino]benzamide is sourced from PubChem (CID 107196453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).