N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide

C16H14Cl2N2O2 — CID 7718956

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
InChIInChI=1S/C16H14Cl2N2O2/c1-20(16(22)11-5-3-2-4-6-11)10-15(21)19-12-7-8-13(17)14(18)9-12/h2-9H,10H2,1H3,(H,19,21)
InChIKeyIYQBKLPCMAOWJE-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.70
Rot. Bonds4

About N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 7718956) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID7718956
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
InChIInChI=1S/C16H14Cl2N2O2/c1-20(16(22)11-5-3-2-4-6-11)10-15(21)19-12-7-8-13(17)14(18)9-12/h2-9H,10H2,1H3,(H,19,21)
InChIKeyIYQBKLPCMAOWJE-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide
CID 31182819
4-(carbamoylamino)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 30091289
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-methylsulfonylbenzamide
CID 9418661
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40604160
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 7718955
ethyl N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate
CID 31183062
N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]benzamide
CID 39758297
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197
N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutan-2-yl]benzamide
CID 55379421
1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyrazole-4-carboxamide
CID 34391952
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 18112252
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-nitrobenzamide
CID 31182781

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide (CID 7718956) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is IYQBKLPCMAOWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-20(16(22)11-5-3-2-4-6-11)10-15(21)19-12-7-8-13(17)14(18)9-12/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 337.21 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 7718956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).