4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide

C15H16ClN3O — CID 63356730

IUPAC4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide
SMILESCC(Nc1cc(C(N)=O)ccc1N)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O/c1-9(10-3-2-4-12(16)7-10)19-14-8-11(15(18)20)5-6-13(14)17/h2-9,19H,17H2,1H3,(H2,18,20)
InChIKeyWLDHZJQSRPRTSN-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.19
Rot. Bonds4

About 4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide

4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide (PubChem CID 63356730) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide.

Molecular Properties

Compound Name4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide
PubChem CID63356730
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide
SMILESCC(Nc1cc(C(N)=O)ccc1N)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O/c1-9(10-3-2-4-12(16)7-10)19-14-8-11(15(18)20)5-6-13(14)17/h2-9,19H,17H2,1H3,(H2,18,20)
InChIKeyWLDHZJQSRPRTSN-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

methyl 4-amino-3-[1-(3-chlorophenyl)ethylamino]benzoate
CID 82776037
4-chloro-3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzamide
CID 43720989
4-amino-3-(propan-2-ylamino)benzamide
CID 63355740
2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzamide
CID 62495061
3-amino-4-(1-phenylethylamino)benzamide
CID 43448333
3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide
CID 93050367
4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide
CID 63357263
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methylbenzamide
CID 81371582
3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide
CID 43700812
4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372128
3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 55147569
methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate
CID 43321995

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide?
The IUPAC name of 4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide (CID 63356730) is 4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide.
What is the SMILES notation for 4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide?
The canonical SMILES for 4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide is CC(Nc1cc(C(N)=O)ccc1N)c1cccc(Cl)c1.
What is the InChIKey of 4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide?
The InChIKey is WLDHZJQSRPRTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-9(10-3-2-4-12(16)7-10)19-14-8-11(15(18)20)5-6-13(14)17/h2-9,19H,17H2,1H3,(H2,18,20).
What are the key properties of 4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide?
4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide 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 4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide is sourced from PubChem (CID 63356730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).