3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide

C18H18Cl2N2O2 — CID 2672632

IUPAC3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-11-4-5-12(2)16(8-11)21-17(23)10-22(3)18(24)13-6-7-14(19)15(20)9-13/h4-9H,10H2,1-3H3,(H,21,23)
InChIKeyGFEYKJSJOLSRTN-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.32
Rot. Bonds4

About 3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide

3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 2672632) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID2672632
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-11-4-5-12(2)16(8-11)21-17(23)10-22(3)18(24)13-6-7-14(19)15(20)9-13/h4-9H,10H2,1-3H3,(H,21,23)
InChIKeyGFEYKJSJOLSRTN-UHFFFAOYSA-N
XLogP4.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8914643
4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9479837
7-chloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 9427980
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9318892
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9479956
6-chloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 9319042
[4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate
CID 8637864
3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 46472549
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(methylsulfanylmethyl)benzamide
CID 9319210
4-(2-amino-2-oxoethoxy)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9085515
2-(2,6-dichlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 2672667
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 18112252

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide (CID 2672632) is 3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is GFEYKJSJOLSRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-11-4-5-12(2)16(8-11)21-17(23)10-22(3)18(24)13-6-7-14(19)15(20)9-13/h4-9H,10H2,1-3H3,(H,21,23).
What are the key properties of 3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 365.26 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 2672632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).