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

C15H11Cl2FN2O2 — CID 771904

IUPAC2,4-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(F)cc1
InChIInChI=1S/C15H11Cl2FN2O2/c16-9-1-6-12(13(17)7-9)15(22)19-8-14(21)20-11-4-2-10(18)3-5-11/h1-7H,8H2,(H,19,22)(H,20,21)
InChIKeyYINQECRHQGYPSW-UHFFFAOYSA-N
MW341.17 g/mol
LogP3.50
Rot. Bonds4

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

2,4-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide (PubChem CID 771904) has the molecular formula C15H11Cl2FN2O2 and a molecular weight of 341.17 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
PubChem CID771904
Molecular FormulaC15H11Cl2FN2O2
Molecular Weight341.17 g/mol
Exact Mass340.02
IUPAC Name2,4-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(F)cc1
InChIInChI=1S/C15H11Cl2FN2O2/c16-9-1-6-12(13(17)7-9)15(22)19-8-14(21)20-11-4-2-10(18)3-5-11/h1-7H,8H2,(H,19,22)(H,20,21)
InChIKeyYINQECRHQGYPSW-UHFFFAOYSA-N
XLogP3.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(3-chlorophenyl)benzamide
CID 347063
4-chloro-N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]benzenecarboxamide
CID 3554910
N-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-4-fluorobenzamide
CID 42266988
Methanone, (4-chlorophenyl)[4-(4-fluorophenyl)-1-piperazinyl]-
CID 720118
2-Chloro-N-(4-chlorophenyl)benzamide
CID 221831
4-Chlorobenzanilide
CID 346669
2,4-Dichlorobenzanilide
CID 347066
(2S)-N-{2-[(4-chlorophenyl)amino]ethyl}-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 23648347
2,4-dichloro-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 1480268
N-[2-(3-chloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2535403
4-chloro-N-[4-(2-fluoroanilino)-4-oxobutyl]benzamide
CID 9504599
4-chloro-N-[4-(2-methylanilino)-4-oxobutyl]benzamide
CID 9509562

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide (CID 771904) is 2,4-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(F)cc1.
What is the InChIKey of 2,4-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide?
The InChIKey is YINQECRHQGYPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O2/c16-9-1-6-12(13(17)7-9)15(22)19-8-14(21)20-11-4-2-10(18)3-5-11/h1-7H,8H2,(H,19,22)(H,20,21).
What are the key properties of 2,4-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide has a molecular weight of 341.17 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 771904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).