N-[2-(4-chloroanilino)ethyl]benzamide

C15H15ClN2O — CID 15324175

IUPACN-[2-(4-chloroanilino)ethyl]benzamide
SMILESO=C(NCCNc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c16-13-6-8-14(9-7-13)17-10-11-18-15(19)12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,18,19)
InChIKeyZESLHRGMGRNWNF-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.18
Rot. Bonds5

About N-[2-(4-chloroanilino)ethyl]benzamide

N-[2-(4-chloroanilino)ethyl]benzamide (PubChem CID 15324175) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)ethyl]benzamide
PubChem CID15324175
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-[2-(4-chloroanilino)ethyl]benzamide
SMILESO=C(NCCNc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c16-13-6-8-14(9-7-13)17-10-11-18-15(19)12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,18,19)
InChIKeyZESLHRGMGRNWNF-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide
CID 154348827
2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
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4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide
CID 134039930
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 121063142
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide
CID 112982578
N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide
CID 110309420
N-[2-(4-chloroanilino)ethyl]-2,2-dimethylpropanamide
CID 102485027
N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 31658784
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)ethyl]benzamide?
The IUPAC name of N-[2-(4-chloroanilino)ethyl]benzamide (CID 15324175) is N-[2-(4-chloroanilino)ethyl]benzamide.
What is the SMILES notation for N-[2-(4-chloroanilino)ethyl]benzamide?
The canonical SMILES for N-[2-(4-chloroanilino)ethyl]benzamide is O=C(NCCNc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-chloroanilino)ethyl]benzamide?
The InChIKey is ZESLHRGMGRNWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-13-6-8-14(9-7-13)17-10-11-18-15(19)12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,18,19).
What are the key properties of N-[2-(4-chloroanilino)ethyl]benzamide?
N-[2-(4-chloroanilino)ethyl]benzamide has a molecular weight of 274.75 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)ethyl]benzamide is sourced from PubChem (CID 15324175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).