3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide

C16H14Cl3NO2 — CID 18276119

IUPAC3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NCCc2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C16H14Cl3NO2/c1-22-15-13(18)8-11(9-14(15)19)16(21)20-6-5-10-3-2-4-12(17)7-10/h2-4,7-9H,5-6H2,1H3,(H,20,21)
InChIKeyHJAYCBGDMZJHOJ-UHFFFAOYSA-N
MW358.65 g/mol
LogP4.63
Rot. Bonds5

About 3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide

3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide (PubChem CID 18276119) has the molecular formula C16H14Cl3NO2 and a molecular weight of 358.65 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
PubChem CID18276119
Molecular FormulaC16H14Cl3NO2
Molecular Weight358.65 g/mol
Exact Mass357.01
IUPAC Name3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NCCc2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C16H14Cl3NO2/c1-22-15-13(18)8-11(9-14(15)19)16(21)20-6-5-10-3-2-4-12(17)7-10/h2-4,7-9H,5-6H2,1H3,(H,20,21)
InChIKeyHJAYCBGDMZJHOJ-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.65
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 27838766
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103459
N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane
CID 143158267
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911
3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056265
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 134049590
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide (CID 18276119) is 3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide is COc1c(Cl)cc(C(=O)NCCc2cccc(Cl)c2)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide?
The InChIKey is HJAYCBGDMZJHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO2/c1-22-15-13(18)8-11(9-14(15)19)16(21)20-6-5-10-3-2-4-12(17)7-10/h2-4,7-9H,5-6H2,1H3,(H,20,21).
What are the key properties of 3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide?
3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide has a molecular weight of 358.65 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 18276119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).