5-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethoxy]-N-phenylbenzamide

C22H17ClFNO4 — CID 24619082

IUPAC5-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethoxy]-N-phenylbenzamide
SMILESCOc1ccc(F)cc1C(=O)COc1ccc(Cl)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H17ClFNO4/c1-28-20-10-8-15(24)12-17(20)19(26)13-29-21-9-7-14(23)11-18(21)22(27)25-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,25,27)
InChIKeyKRQWZESUDVIGCO-UHFFFAOYSA-N
MW413.83 g/mol
LogP5.00
Rot. Bonds7

About 5-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethoxy]-N-phenylbenzamide

5-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 24619082) has the molecular formula C22H17ClFNO4 and a molecular weight of 413.83 g/mol. Its IUPAC name is 5-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name5-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethoxy]-N-phenylbenzamide
PubChem CID24619082
Molecular FormulaC22H17ClFNO4
Molecular Weight413.83 g/mol
Exact Mass413.08
IUPAC Name5-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethoxy]-N-phenylbenzamide
SMILESCOc1ccc(F)cc1C(=O)COc1ccc(Cl)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H17ClFNO4/c1-28-20-10-8-15(24)12-17(20)19(26)13-29-21-9-7-14(23)11-18(21)22(27)25-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,25,27)
InChIKeyKRQWZESUDVIGCO-UHFFFAOYSA-N
XLogP5.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.83
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[2-(diethylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893374
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
N-(4-acetamidophenyl)-5-fluoro-2-methoxybenzamide
CID 31063829
5-chloro-2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 24578784
2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 8852932
N-[2-[(5-chloro-2-methoxybenzoyl)amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55834271
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 39045106
5-chloro-2-[2-[1-(furan-2-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 24578790
2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43413586
5-chloro-2-[2-(cyclohexylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893364
5-chloro-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-phenylbenzamide
CID 24578731

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 5-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethoxy]-N-phenylbenzamide (CID 24619082) is 5-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 5-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 5-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethoxy]-N-phenylbenzamide is COc1ccc(F)cc1C(=O)COc1ccc(Cl)cc1C(=O)Nc1ccccc1.
What is the InChIKey of 5-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is KRQWZESUDVIGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFNO4/c1-28-20-10-8-15(24)12-17(20)19(26)13-29-21-9-7-14(23)11-18(21)22(27)25-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of 5-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethoxy]-N-phenylbenzamide?
5-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 413.83 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 24619082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).