3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide

C15H10Cl4N2O2 — CID 113001415

IUPAC3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl4N2O2/c16-9-5-4-8(6-12(9)19)15(23)20-7-13(22)21-14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,23)(H,21,22)
InChIKeyDIGLIKWBNVRCCY-UHFFFAOYSA-N
MW392.07 g/mol
LogP4.67
Rot. Bonds4

About 3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide

3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide (PubChem CID 113001415) has the molecular formula C15H10Cl4N2O2 and a molecular weight of 392.07 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
PubChem CID113001415
Molecular FormulaC15H10Cl4N2O2
Molecular Weight392.07 g/mol
Exact Mass389.95
IUPAC Name3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl4N2O2/c16-9-5-4-8(6-12(9)19)15(23)20-7-13(22)21-14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,23)(H,21,22)
InChIKeyDIGLIKWBNVRCCY-UHFFFAOYSA-N
XLogP4.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.07
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
CID 113001418
3,4-dichloro-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide
CID 112997392
3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide
CID 26592239
3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
CID 9293234
N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 9295430
N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide
CID 9336870
methyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate
CID 113001448
N-[2-(2,6-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 110698088
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411502
3,4-dichloro-N-[2-oxo-2-[(4-oxo-1H-pyridin-3-yl)amino]ethyl]benzamide
CID 60512470
3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide
CID 42467160
N'-(2,6-dichlorophenyl)-N-(3,4-dichlorophenyl)propanediamide
CID 108956848

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide (CID 113001415) is 3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide?
The InChIKey is DIGLIKWBNVRCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4N2O2/c16-9-5-4-8(6-12(9)19)15(23)20-7-13(22)21-14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,23)(H,21,22).
What are the key properties of 3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide?
3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide has a molecular weight of 392.07 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 113001415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).