2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzamide

C15H16ClN3O — CID 62495061

IUPAC2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzamide
SMILESCC(Nc1ccc(Cl)cc1C(N)=O)c1cccc(N)c1
InChIInChI=1S/C15H16ClN3O/c1-9(10-3-2-4-12(17)7-10)19-14-6-5-11(16)8-13(14)15(18)20/h2-9,19H,17H2,1H3,(H2,18,20)
InChIKeyCKWGNKKIZDCLJP-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.19
Rot. Bonds4

About 2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzamide

2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzamide (PubChem CID 62495061) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzamide.

Molecular Properties

Compound Name2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzamide
PubChem CID62495061
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzamide
SMILESCC(Nc1ccc(Cl)cc1C(N)=O)c1cccc(N)c1
InChIInChI=1S/C15H16ClN3O/c1-9(10-3-2-4-12(17)7-10)19-14-6-5-11(16)8-13(14)15(18)20/h2-9,19H,17H2,1H3,(H2,18,20)
InChIKeyCKWGNKKIZDCLJP-UHFFFAOYSA-N
XLogP3.19
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.19
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

2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzonitrile
CID 62494887
4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide
CID 63356730
2-[(3-aminophenyl)methylamino]-5-chlorobenzamide
CID 62500264
4-chloro-2-[1-(3-chlorophenyl)ethylamino]benzenecarbothioamide
CID 63519256
2-amino-6-[1-(3-chlorophenyl)ethylamino]-3-fluorobenzoic acid
CID 83207044
5-chloro-2-(1-pyridin-3-ylethylamino)benzenecarbothioamide
CID 55080089
4-[1-(3-aminophenyl)ethylamino]-3-chlorobenzonitrile
CID 63092617
5-chloro-2-(1-pyridin-4-ylethylamino)benzenecarbothioamide
CID 62494698
methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate
CID 43321995
2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 43758710
2-amino-3-(1-phenylethylamino)benzamide
CID 113332401
N-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide
CID 62504759

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzamide?
The IUPAC name of 2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzamide (CID 62495061) is 2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzamide.
What is the SMILES notation for 2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzamide?
The canonical SMILES for 2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzamide is CC(Nc1ccc(Cl)cc1C(N)=O)c1cccc(N)c1.
What is the InChIKey of 2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzamide?
The InChIKey is CKWGNKKIZDCLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-9(10-3-2-4-12(17)7-10)19-14-6-5-11(16)8-13(14)15(18)20/h2-9,19H,17H2,1H3,(H2,18,20).
What are the key properties of 2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzamide?
2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzamide has a molecular weight of 289.77 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzamide is sourced from PubChem (CID 62495061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).