5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide

C16H18ClN3O — CID 107195557

IUPAC5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide
SMILESCCc1ccc(N(C)c2c(Cl)cc(N)cc2C(N)=O)cc1
InChIInChI=1S/C16H18ClN3O/c1-3-10-4-6-12(7-5-10)20(2)15-13(16(19)21)8-11(18)9-14(15)17/h4-9H,3,18H2,1-2H3,(H2,19,21)
InChIKeyDNPRLGRSBLMZHQ-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.35
Rot. Bonds4

About 5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide

5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide (PubChem CID 107195557) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide
PubChem CID107195557
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide
SMILESCCc1ccc(N(C)c2c(Cl)cc(N)cc2C(N)=O)cc1
InChIInChI=1S/C16H18ClN3O/c1-3-10-4-6-12(7-5-10)20(2)15-13(16(19)21)8-11(18)9-14(15)17/h4-9H,3,18H2,1-2H3,(H2,19,21)
InChIKeyDNPRLGRSBLMZHQ-UHFFFAOYSA-N
XLogP3.35
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.35
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

5-amino-3-chloro-2-(N,3-dimethylanilino)benzamide
CID 107195569
methyl 5-amino-3-chloro-2-(N-methylanilino)benzoate
CID 107192500
5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide
CID 62001590
5-amino-3-chloro-2-[2-hydroxypropyl(methyl)amino]benzamide
CID 107195645
5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide
CID 107194513
5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide
CID 107194374
2-chloro-4-(4-ethyl-N-methylanilino)benzoic acid
CID 63514692
5-amino-3-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 107194778
5-amino-3-chloro-2-[methyl-(4-methylcyclohexyl)amino]benzamide
CID 107194659
5-amino-3-chloro-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzamide
CID 107196251
4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine
CID 62001857
methyl 5-amino-3-chloro-2-(4-ethylphenoxy)benzoate
CID 107197223

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide (CID 107195557) is 5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide is CCc1ccc(N(C)c2c(Cl)cc(N)cc2C(N)=O)cc1.
What is the InChIKey of 5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide?
The InChIKey is DNPRLGRSBLMZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-10-4-6-12(7-5-10)20(2)15-13(16(19)21)8-11(18)9-14(15)17/h4-9H,3,18H2,1-2H3,(H2,19,21).
What are the key properties of 5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide?
5-amino-3-chloro-2-(4-ethyl-N-methylanilino)benzamide has a molecular weight of 303.79 g/mol, XLogP of 3.35, 4 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-(4-ethyl-N-methylanilino)benzamide is sourced from PubChem (CID 107195557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).