3,4-dichloro-N-[2-(N-ethylanilino)-2-oxoethyl]benzamide

C17H16Cl2N2O2 — CID 112996883

IUPAC3,4-dichloro-N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
SMILESCCN(C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H16Cl2N2O2/c1-2-21(13-6-4-3-5-7-13)16(22)11-20-17(23)12-8-9-14(18)15(19)10-12/h3-10H,2,11H2,1H3,(H,20,23)
InChIKeyYYTHJXCLCGVQOP-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.78
Rot. Bonds5

About 3,4-dichloro-N-[2-(N-ethylanilino)-2-oxoethyl]benzamide

3,4-dichloro-N-[2-(N-ethylanilino)-2-oxoethyl]benzamide (PubChem CID 112996883) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(N-ethylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
PubChem CID112996883
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name3,4-dichloro-N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
SMILESCCN(C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H16Cl2N2O2/c1-2-21(13-6-4-3-5-7-13)16(22)11-20-17(23)12-8-9-14(18)15(19)10-12/h3-10H,2,11H2,1H3,(H,20,23)
InChIKeyYYTHJXCLCGVQOP-UHFFFAOYSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 15890379
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 27666006
3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide
CID 86908282
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
2-(4-chloro-3-fluoroanilino)-N-ethyl-N-phenylacetamide
CID 60536225
N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide
CID 9336870
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
4-tert-butyl-N-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]benzamide
CID 113002146
4-chloro-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide
CID 55891149
N-[2-(N-ethylanilino)-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 75455773
N-butyl-4-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
CID 54832356
3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide
CID 108570671

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(N-ethylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(N-ethylanilino)-2-oxoethyl]benzamide (CID 112996883) is 3,4-dichloro-N-[2-(N-ethylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(N-ethylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(N-ethylanilino)-2-oxoethyl]benzamide is CCN(C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 3,4-dichloro-N-[2-(N-ethylanilino)-2-oxoethyl]benzamide?
The InChIKey is YYTHJXCLCGVQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-2-21(13-6-4-3-5-7-13)16(22)11-20-17(23)12-8-9-14(18)15(19)10-12/h3-10H,2,11H2,1H3,(H,20,23).
What are the key properties of 3,4-dichloro-N-[2-(N-ethylanilino)-2-oxoethyl]benzamide?
3,4-dichloro-N-[2-(N-ethylanilino)-2-oxoethyl]benzamide has a molecular weight of 351.23 g/mol, XLogP of 3.78, 5 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-(N-ethylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 112996883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).