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

C17H17Cl2NO3 — CID 2817751

IUPAC2,4-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C17H17Cl2NO3/c1-22-15-6-3-11(9-16(15)23-2)7-8-20-17(21)13-5-4-12(18)10-14(13)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKeyHDYRIQXZHRNXRQ-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.98
Rot. Bonds6

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

2,4-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (PubChem CID 2817751) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
PubChem CID2817751
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name2,4-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C17H17Cl2NO3/c1-22-15-6-3-11(9-16(15)23-2)7-8-20-17(21)13-5-4-12(18)10-14(13)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKeyHDYRIQXZHRNXRQ-UHFFFAOYSA-N
XLogP3.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (CID 2817751) is 2,4-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2ccc(Cl)cc2Cl)cc1OC.
What is the InChIKey of 2,4-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The InChIKey is HDYRIQXZHRNXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-22-15-6-3-11(9-16(15)23-2)7-8-20-17(21)13-5-4-12(18)10-14(13)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,21).
What are the key properties of 2,4-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
2,4-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide has a molecular weight of 354.23 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 2817751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).