3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide

C15H12Cl3NO — CID 888038

IUPAC3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl3NO/c16-12-3-1-2-10(8-12)6-7-19-15(20)11-4-5-13(17)14(18)9-11/h1-5,8-9H,6-7H2,(H,19,20)
InChIKeyLCQXBIGAVDUGKE-UHFFFAOYSA-N
MW328.63 g/mol
LogP4.62
Rot. Bonds4

About 3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide

3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide (PubChem CID 888038) has the molecular formula C15H12Cl3NO and a molecular weight of 328.63 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
PubChem CID888038
Molecular FormulaC15H12Cl3NO
Molecular Weight328.63 g/mol
Exact Mass327.00
IUPAC Name3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl3NO/c16-12-3-1-2-10(8-12)6-7-19-15(20)11-4-5-13(17)14(18)9-11/h1-5,8-9H,6-7H2,(H,19,20)
InChIKeyLCQXBIGAVDUGKE-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.63
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213299
3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 18276119
N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane
CID 143158267
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911
N-[2-(3-chlorophenyl)ethyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
CID 25255713
3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056265
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide
CID 31251030
N-[2-(3-chlorophenyl)ethyl]-4-hydroxy-3-phenylbenzamide
CID 154832803
N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27838781
4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27838626

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide (CID 888038) is 3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide is O=C(NCCc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide?
The InChIKey is LCQXBIGAVDUGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO/c16-12-3-1-2-10(8-12)6-7-19-15(20)11-4-5-13(17)14(18)9-11/h1-5,8-9H,6-7H2,(H,19,20).
What are the key properties of 3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide?
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide has a molecular weight of 328.63 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide is sourced from PubChem (CID 888038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).