4-(2-aminoethylamino)-3-chlorobenzamide

C9H12ClN3O — CID 63092115

IUPAC4-(2-aminoethylamino)-3-chlorobenzamide
SMILESNCCNc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C9H12ClN3O/c10-7-5-6(9(12)14)1-2-8(7)13-4-3-11/h1-2,5,13H,3-4,11H2,(H2,12,14)
InChIKeyVDYIWGPCOFWHBQ-UHFFFAOYSA-N
MW213.67 g/mol
LogP0.81
Rot. Bonds4

About 4-(2-aminoethylamino)-3-chlorobenzamide

4-(2-aminoethylamino)-3-chlorobenzamide (PubChem CID 63092115) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 4-(2-aminoethylamino)-3-chlorobenzamide.

Molecular Properties

Compound Name4-(2-aminoethylamino)-3-chlorobenzamide
PubChem CID63092115
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name4-(2-aminoethylamino)-3-chlorobenzamide
SMILESNCCNc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C9H12ClN3O/c10-7-5-6(9(12)14)1-2-8(7)13-4-3-11/h1-2,5,13H,3-4,11H2,(H2,12,14)
InChIKeyVDYIWGPCOFWHBQ-UHFFFAOYSA-N
XLogP0.81
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(2-hydroxyethylamino)benzamide
CID 141166266
2-[2-(4-carbamoyl-2-chloroanilino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375303
4-(2-aminoethylamino)-3-nitrobenzamide;hydrochloride
CID 155577579
N'-(2-chloro-4-methylphenyl)ethane-1,2-diamine
CID 82504176
2-[(4-carbamoyl-2-chloroanilino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380508
3-chloro-4-(propylamino)benzoic acid
CID 63089109
3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide
CID 107807922
4-[(2-amino-1-cyclopropylethyl)amino]-3-chlorobenzamide
CID 65193649
2-(4-carbamoyl-2-chloroanilino)-4-methylpentanoic acid
CID 55182349
4-chloro-3-(pentylamino)benzamide
CID 43679378
2-(4-carbamoyl-2-chloroanilino)-3-methoxypropanoic acid
CID 81078412
4-(5-amino-2-chloroanilino)-3-fluorobenzamide
CID 54903363

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylamino)-3-chlorobenzamide?
The IUPAC name of 4-(2-aminoethylamino)-3-chlorobenzamide (CID 63092115) is 4-(2-aminoethylamino)-3-chlorobenzamide.
What is the SMILES notation for 4-(2-aminoethylamino)-3-chlorobenzamide?
The canonical SMILES for 4-(2-aminoethylamino)-3-chlorobenzamide is NCCNc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 4-(2-aminoethylamino)-3-chlorobenzamide?
The InChIKey is VDYIWGPCOFWHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-7-5-6(9(12)14)1-2-8(7)13-4-3-11/h1-2,5,13H,3-4,11H2,(H2,12,14).
What are the key properties of 4-(2-aminoethylamino)-3-chlorobenzamide?
4-(2-aminoethylamino)-3-chlorobenzamide has a molecular weight of 213.67 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylamino)-3-chlorobenzamide is sourced from PubChem (CID 63092115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).