4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide

C16H22Cl2N2O2 — CID 23857395

IUPAC4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide
SMILESCCN(CC)C(=O)c1cc(Cl)c(Cl)cc1C(=O)N(CC)CC
InChIInChI=1S/C16H22Cl2N2O2/c1-5-19(6-2)15(21)11-9-13(17)14(18)10-12(11)16(22)20(7-3)8-4/h9-10H,5-8H2,1-4H3
InChIKeySDJDMCAAPSKOGY-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.96
Rot. Bonds6

About 4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide

4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide (PubChem CID 23857395) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide
PubChem CID23857395
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide
SMILESCCN(CC)C(=O)c1cc(Cl)c(Cl)cc1C(=O)N(CC)CC
InChIInChI=1S/C16H22Cl2N2O2/c1-5-19(6-2)15(21)11-9-13(17)14(18)10-12(11)16(22)20(7-3)8-4/h9-10H,5-8H2,1-4H3
InChIKeySDJDMCAAPSKOGY-UHFFFAOYSA-N
XLogP3.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-trichloro-N,N-diethylbenzamide
CID 50849492
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3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956
2,4-dichloro-N,N-diethyl-5-sulfamoylbenzamide
CID 60635894
3-chloro-N,N-diethyl-2-fluorobenzamide
CID 80949009
2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722
5-chloro-N,N-diethylnaphthalene-1-carboxamide
CID 50850160
5-chloro-N,N-diethyl-2-oxo-1H-pyridine-3-carboxamide
CID 110855176
3-bromo-2-chloro-N,N-diethylbenzamide
CID 103975185
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide
CID 42659109
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
2-[(2-chloro-4-methylbenzoyl)-ethylamino]acetic acid
CID 106860509

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide?
The IUPAC name of 4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide (CID 23857395) is 4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide?
The canonical SMILES for 4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide is CCN(CC)C(=O)c1cc(Cl)c(Cl)cc1C(=O)N(CC)CC.
What is the InChIKey of 4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide?
The InChIKey is SDJDMCAAPSKOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-5-19(6-2)15(21)11-9-13(17)14(18)10-12(11)16(22)20(7-3)8-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide?
4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide has a molecular weight of 345.27 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 23857395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).