1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide

C18H18Cl2N2O2 — CID 109055921

IUPAC1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1cccc(C(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-3-22(4-2)18(24)13-8-5-7-12(11-13)17(23)21-16-14(19)9-6-10-15(16)20/h5-11H,3-4H2,1-2H3,(H,21,23)
InChIKeyVPLNLFOZKOKDRE-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.73
Rot. Bonds5

About 1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide

1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide (PubChem CID 109055921) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide
PubChem CID109055921
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1cccc(C(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-3-22(4-2)18(24)13-8-5-7-12(11-13)17(23)21-16-14(19)9-6-10-15(16)20/h5-11H,3-4H2,1-2H3,(H,21,23)
InChIKeyVPLNLFOZKOKDRE-UHFFFAOYSA-N
XLogP4.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057070
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 109055915
N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate
CID 51058525
3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055871
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
3-N,3-N-diethyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109055931
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055870
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055819
3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106761
1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056617

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide (CID 109055921) is 1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide is CCN(CC)C(=O)c1cccc(C(=O)Nc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide?
The InChIKey is VPLNLFOZKOKDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-3-22(4-2)18(24)13-8-5-7-12(11-13)17(23)21-16-14(19)9-6-10-15(16)20/h5-11H,3-4H2,1-2H3,(H,21,23).
What are the key properties of 1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide?
1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide has a molecular weight of 365.26 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109055921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).