5-amino-3-chloro-2-[1-(2-methylphenyl)ethylamino]benzamide

C16H18ClN3O — CID 107195073

IUPAC5-amino-3-chloro-2-[1-(2-methylphenyl)ethylamino]benzamide
SMILESCc1ccccc1C(C)Nc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C16H18ClN3O/c1-9-5-3-4-6-12(9)10(2)20-15-13(16(19)21)7-11(18)8-14(15)17/h3-8,10,20H,18H2,1-2H3,(H2,19,21)
InChIKeyIGICCWFFGRRJRE-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.50
Rot. Bonds4

About 5-amino-3-chloro-2-[1-(2-methylphenyl)ethylamino]benzamide

5-amino-3-chloro-2-[1-(2-methylphenyl)ethylamino]benzamide (PubChem CID 107195073) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[1-(2-methylphenyl)ethylamino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[1-(2-methylphenyl)ethylamino]benzamide
PubChem CID107195073
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-amino-3-chloro-2-[1-(2-methylphenyl)ethylamino]benzamide
SMILESCc1ccccc1C(C)Nc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C16H18ClN3O/c1-9-5-3-4-6-12(9)10(2)20-15-13(16(19)21)7-11(18)8-14(15)17/h3-8,10,20H,18H2,1-2H3,(H2,19,21)
InChIKeyIGICCWFFGRRJRE-UHFFFAOYSA-N
XLogP3.50
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.50
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-[1-(furan-2-yl)ethylamino]benzamide
CID 107194018
5-amino-3-chloro-2-[1-(4-fluorophenyl)ethylamino]benzamide
CID 107195031
5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide
CID 107194825
5-amino-3-chloro-2-(2-chloroanilino)benzamide
CID 107193224
5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide
CID 107192577
5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide
CID 107196988
methyl 5-amino-3-chloro-2-(1-pyridin-2-ylethylamino)benzoate
CID 107194044
5-amino-3-chloro-2-(4-ethylsulfanylbutan-2-ylamino)benzamide
CID 107196840
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
5-amino-2-methyl-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 61118673
5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide
CID 107193351
5-amino-3-chloro-2-(2,6-dimethylanilino)benzoic acid
CID 107193367

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[1-(2-methylphenyl)ethylamino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[1-(2-methylphenyl)ethylamino]benzamide (CID 107195073) is 5-amino-3-chloro-2-[1-(2-methylphenyl)ethylamino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[1-(2-methylphenyl)ethylamino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[1-(2-methylphenyl)ethylamino]benzamide is Cc1ccccc1C(C)Nc1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-[1-(2-methylphenyl)ethylamino]benzamide?
The InChIKey is IGICCWFFGRRJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-9-5-3-4-6-12(9)10(2)20-15-13(16(19)21)7-11(18)8-14(15)17/h3-8,10,20H,18H2,1-2H3,(H2,19,21).
What are the key properties of 5-amino-3-chloro-2-[1-(2-methylphenyl)ethylamino]benzamide?
5-amino-3-chloro-2-[1-(2-methylphenyl)ethylamino]benzamide has a molecular weight of 303.79 g/mol, XLogP of 3.50, 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-[1-(2-methylphenyl)ethylamino]benzamide is sourced from PubChem (CID 107195073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).