2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide

C17H14Cl2F2N2O2 — CID 38369368

IUPAC2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H14Cl2F2N2O2/c1-2-23(17(25)11-8-10(18)6-7-12(11)19)9-15(24)22-16-13(20)4-3-5-14(16)21/h3-8H,2,9H2,1H3,(H,22,24)
InChIKeyYQGYNNRUQJRDNL-UHFFFAOYSA-N
MW387.21 g/mol
LogP4.37
Rot. Bonds5

About 2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide

2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide (PubChem CID 38369368) has the molecular formula C17H14Cl2F2N2O2 and a molecular weight of 387.21 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide
PubChem CID38369368
Molecular FormulaC17H14Cl2F2N2O2
Molecular Weight387.21 g/mol
Exact Mass386.04
IUPAC Name2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H14Cl2F2N2O2/c1-2-23(17(25)11-8-10(18)6-7-12(11)19)9-15(24)22-16-13(20)4-3-5-14(16)21/h3-8H,2,9H2,1H3,(H,22,24)
InChIKeyYQGYNNRUQJRDNL-UHFFFAOYSA-N
XLogP4.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.21
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylacetamide
CID 38369391
2-chloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-nitrobenzamide
CID 7927462
2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide
CID 34169732
ethyl N-[2-[(2,5-dichlorobenzoyl)-ethylamino]acetyl]carbamate
CID 9115326
3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide
CID 119266607
4-chloro-N-[4-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-4-oxobutyl]benzamide
CID 24981133
2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55342013
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(methoxymethyl)benzamide
CID 38369967
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 38370916
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(2-fluorophenyl)furan-2-carboxamide
CID 46562764
2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 34169565
N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55100293

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide?
The IUPAC name of 2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide (CID 38369368) is 2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide?
The canonical SMILES for 2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide?
The InChIKey is YQGYNNRUQJRDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F2N2O2/c1-2-23(17(25)11-8-10(18)6-7-12(11)19)9-15(24)22-16-13(20)4-3-5-14(16)21/h3-8H,2,9H2,1H3,(H,22,24).
What are the key properties of 2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide?
2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide has a molecular weight of 387.21 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide is sourced from PubChem (CID 38369368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).