5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide

C16H18ClN3O — CID 107192577

IUPAC5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide
SMILESCc1cc(C)c(Nc2c(Cl)cc(N)cc2C(N)=O)c(C)c1
InChIInChI=1S/C16H18ClN3O/c1-8-4-9(2)14(10(3)5-8)20-15-12(16(19)21)6-11(18)7-13(15)17/h4-7,20H,18H2,1-3H3,(H2,19,21)
InChIKeyOIRDMNQYZKOYAY-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.69
Rot. Bonds3

About 5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide

5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide (PubChem CID 107192577) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide
PubChem CID107192577
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide
SMILESCc1cc(C)c(Nc2c(Cl)cc(N)cc2C(N)=O)c(C)c1
InChIInChI=1S/C16H18ClN3O/c1-8-4-9(2)14(10(3)5-8)20-15-12(16(19)21)6-11(18)7-13(15)17/h4-7,20H,18H2,1-3H3,(H2,19,21)
InChIKeyOIRDMNQYZKOYAY-UHFFFAOYSA-N
XLogP3.69
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.69
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-(4-fluoro-2-methylanilino)benzamide
CID 107193351
5-amino-3-chloro-2-(cyclopropylamino)benzamide
CID 107192447
5-amino-3-chloro-2-(2,6-dimethylanilino)benzoic acid
CID 107193367
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
5-amino-3-chloro-2-(2-chloroanilino)benzamide
CID 107193224
5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide
CID 107196901
5-amino-3-chloro-2-(pyrimidin-5-ylamino)benzamide
CID 107589721
5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide
CID 107192270
5-amino-3-chloro-2-[(3-methylphenyl)methylamino]benzamide
CID 107194342
5-amino-3-chloro-2-[1-(2-methylphenyl)ethylamino]benzamide
CID 107195073
5-amino-3-chloro-2-(cycloheptylamino)benzamide
CID 107193767
5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide
CID 107196396

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide (CID 107192577) is 5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide is Cc1cc(C)c(Nc2c(Cl)cc(N)cc2C(N)=O)c(C)c1.
What is the InChIKey of 5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide?
The InChIKey is OIRDMNQYZKOYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-8-4-9(2)14(10(3)5-8)20-15-12(16(19)21)6-11(18)7-13(15)17/h4-7,20H,18H2,1-3H3,(H2,19,21).
What are the key properties of 5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide?
5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide has a molecular weight of 303.79 g/mol, XLogP of 3.69, 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-(2,4,6-trimethylanilino)benzamide is sourced from PubChem (CID 107192577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).