5-amino-3-chloro-2-(ethylamino)benzamide

C9H12ClN3O — CID 107192494

IUPAC5-amino-3-chloro-2-(ethylamino)benzamide
SMILESCCNc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C9H12ClN3O/c1-2-13-8-6(9(12)14)3-5(11)4-7(8)10/h3-4,13H,2,11H2,1H3,(H2,12,14)
InChIKeyQNGBKLHZZORKAH-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.45
Rot. Bonds3

About 5-amino-3-chloro-2-(ethylamino)benzamide

5-amino-3-chloro-2-(ethylamino)benzamide (PubChem CID 107192494) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(ethylamino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(ethylamino)benzamide
PubChem CID107192494
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name5-amino-3-chloro-2-(ethylamino)benzamide
SMILESCCNc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C9H12ClN3O/c1-2-13-8-6(9(12)14)3-5(11)4-7(8)10/h3-4,13H,2,11H2,1H3,(H2,12,14)
InChIKeyQNGBKLHZZORKAH-UHFFFAOYSA-N
XLogP1.45
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.45
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-[2-(dimethylamino)ethylamino]benzamide
CID 107192487
5-amino-3-chloro-2-(2-ethoxypropylamino)benzamide
CID 107196713
5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide
CID 107194123
5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide
CID 107194825
5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide
CID 107196156
5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide
CID 107196159
5-amino-3-chloro-2-[(3-methylphenyl)methylamino]benzamide
CID 107194342
5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide
CID 107196988
5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide
CID 107196857
5-amino-3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]benzamide
CID 107196471
5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide
CID 107195667
5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide
CID 114096478

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(ethylamino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(ethylamino)benzamide (CID 107192494) is 5-amino-3-chloro-2-(ethylamino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(ethylamino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(ethylamino)benzamide is CCNc1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-(ethylamino)benzamide?
The InChIKey is QNGBKLHZZORKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-2-13-8-6(9(12)14)3-5(11)4-7(8)10/h3-4,13H,2,11H2,1H3,(H2,12,14).
What are the key properties of 5-amino-3-chloro-2-(ethylamino)benzamide?
5-amino-3-chloro-2-(ethylamino)benzamide has a molecular weight of 213.67 g/mol, XLogP of 1.45, 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-(ethylamino)benzamide is sourced from PubChem (CID 107192494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).