2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide

C17H14Cl3FN2O2 — CID 34169732

IUPAC2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C17H14Cl3FN2O2/c1-2-23(17(25)11-7-6-10(21)8-14(11)20)9-15(24)22-16-12(18)4-3-5-13(16)19/h3-8H,2,9H2,1H3,(H,22,24)
InChIKeyUOZASQWKFXCQNO-UHFFFAOYSA-N
MW403.67 g/mol
LogP4.89
Rot. Bonds5

About 2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide

2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide (PubChem CID 34169732) has the molecular formula C17H14Cl3FN2O2 and a molecular weight of 403.67 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide
PubChem CID34169732
Molecular FormulaC17H14Cl3FN2O2
Molecular Weight403.67 g/mol
Exact Mass402.01
IUPAC Name2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C17H14Cl3FN2O2/c1-2-23(17(25)11-7-6-10(21)8-14(11)20)9-15(24)22-16-12(18)4-3-5-13(16)19/h3-8H,2,9H2,1H3,(H,22,24)
InChIKeyUOZASQWKFXCQNO-UHFFFAOYSA-N
XLogP4.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.67
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate
CID 54979189
2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 34169565
2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 38369368
2-chloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-nitrobenzamide
CID 7927462
N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]acetamide
CID 55457102
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 25315753
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55759204
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2353255
N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 79668411
2-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 55559782
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide (CID 34169732) is 2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide?
The InChIKey is UOZASQWKFXCQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3FN2O2/c1-2-23(17(25)11-7-6-10(21)8-14(11)20)9-15(24)22-16-12(18)4-3-5-13(16)19/h3-8H,2,9H2,1H3,(H,22,24).
What are the key properties of 2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide?
2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide has a molecular weight of 403.67 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide is sourced from PubChem (CID 34169732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).