3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide

C17H17Cl2NO — CID 2807080

IUPAC3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C17H17Cl2NO/c1-10-4-6-14(11(2)8-10)12(3)20-17(21)13-5-7-15(18)16(19)9-13/h4-9,12H,1-3H3,(H,20,21)
InChIKeyZWPIGVNTTYJSKX-UHFFFAOYSA-N
MW322.24 g/mol
LogP5.10
Rot. Bonds3

About 3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide

3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide (PubChem CID 2807080) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
PubChem CID2807080
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C17H17Cl2NO/c1-10-4-6-14(11(2)8-10)12(3)20-17(21)13-5-7-15(18)16(19)9-13/h4-9,12H,1-3H3,(H,20,21)
InChIKeyZWPIGVNTTYJSKX-UHFFFAOYSA-N
XLogP5.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.24
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide (CID 2807080) is 3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2ccc(Cl)c(Cl)c2)c(C)c1.
What is the InChIKey of 3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide?
The InChIKey is ZWPIGVNTTYJSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-10-4-6-14(11(2)8-10)12(3)20-17(21)13-5-7-15(18)16(19)9-13/h4-9,12H,1-3H3,(H,20,21).
What are the key properties of 3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide?
3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide has a molecular weight of 322.24 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide is sourced from PubChem (CID 2807080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).