2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide

C21H16ClFN2O3 — CID 8852932

IUPAC2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide
SMILESO=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C21H16ClFN2O3/c22-14-10-11-18(17(23)12-14)25-20(26)13-28-19-9-5-4-8-16(19)21(27)24-15-6-2-1-3-7-15/h1-12H,13H2,(H,24,27)(H,25,26)
InChIKeyBAULYPNHKZSLEZ-UHFFFAOYSA-N
MW398.82 g/mol
LogP4.75
Rot. Bonds6

About 2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide

2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 8852932) has the molecular formula C21H16ClFN2O3 and a molecular weight of 398.82 g/mol. Its IUPAC name is 2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide
PubChem CID8852932
Molecular FormulaC21H16ClFN2O3
Molecular Weight398.82 g/mol
Exact Mass398.08
IUPAC Name2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide
SMILESO=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C21H16ClFN2O3/c22-14-10-11-18(17(23)12-14)25-20(26)13-28-19-9-5-4-8-16(19)21(27)24-15-6-2-1-3-7-15/h1-12H,13H2,(H,24,27)(H,25,26)
InChIKeyBAULYPNHKZSLEZ-UHFFFAOYSA-N
XLogP4.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 7961385
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783308
N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26913940
2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 41428663
N-(4-anilinophenyl)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
CID 4941879
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-fluoro-4-methylphenyl)benzamide
CID 26523025
2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 112778621
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 2353347
N-(3-cyanophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26727992
2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 7980967
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 34373146

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide (CID 8852932) is 2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide is O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(Cl)cc1F.
What is the InChIKey of 2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is BAULYPNHKZSLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O3/c22-14-10-11-18(17(23)12-14)25-20(26)13-28-19-9-5-4-8-16(19)21(27)24-15-6-2-1-3-7-15/h1-12H,13H2,(H,24,27)(H,25,26).
What are the key properties of 2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide?
2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 398.82 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 8852932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).