2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(2-methylphenyl)acetamide

C22H16ClF2NO3 — CID 11589736

IUPAC2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C22H16ClF2NO3/c1-13-4-2-3-5-19(13)26-21(27)12-29-20-7-6-15(23)10-18(20)22(28)14-8-16(24)11-17(25)9-14/h2-11H,12H2,1H3,(H,26,27)
InChIKeyWIAHHWDLCXFARH-UHFFFAOYSA-N
MW415.82 g/mol
LogP5.18
Rot. Bonds6

About 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(2-methylphenyl)acetamide

2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(2-methylphenyl)acetamide (PubChem CID 11589736) has the molecular formula C22H16ClF2NO3 and a molecular weight of 415.82 g/mol. Its IUPAC name is 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(2-methylphenyl)acetamide
PubChem CID11589736
Molecular FormulaC22H16ClF2NO3
Molecular Weight415.82 g/mol
Exact Mass415.08
IUPAC Name2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C22H16ClF2NO3/c1-13-4-2-3-5-19(13)26-21(27)12-29-20-7-6-15(23)10-18(20)22(28)14-8-16(24)11-17(25)9-14/h2-11H,12H2,1H3,(H,26,27)
InChIKeyWIAHHWDLCXFARH-UHFFFAOYSA-N
XLogP5.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.82
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Acetamide, N-(4-(aminosulfonyl)-2-methylphenyl)-2-(4-chloro-2-(3-fluoro-5-(trifluoromethyl)benzoyl)phenoxy)-
CID 486517
2-(4-chloro-2-(phenylcarbonyl)phenoxy)-N-phenylacetamide
CID 465669
2-[4-chloro-2-(3-cyano-5-methyl-benzoyl)phenoxy]-N-(2-methyl-4-sulfamoyl-phenyl)acetamide
CID 486530
4-[[2-[4-Chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]-2-fluoro-3-methylbenzoic acid
CID 11706381
2-{[(4-Chloro-2-methylphenoxy)acetyl]amino}benzoic acid
CID 839534
N-(3-chloro-4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxamide
CID 887096
5-chloro-N-[4-(isobutyrylamino)phenyl]-2-methoxybenzamide
CID 888212
5-Chloro-2-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzamide
CID 16296651
2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[2-methyl-4-(3-sulfamoylpropoxy)phenyl]acetamide
CID 486523
2-[4-chloro-2-(3-cyanobenzoyl)phenoxy]-N-(2-methyl-4-sulfamoyl-phenyl)acetamide
CID 486527
2-[4-chloro-2-(3,5-dimethylbenzoyl)phenoxy]-N-(2-methyl-4-sulfamoyl-phenyl)acetamide
CID 486533
2-[4-chloro-2-(3-chloro-5-methyl-benzoyl)phenoxy]-N-(2-methyl-4-sulfamoyl-phenyl)acetamide
CID 486536

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(2-methylphenyl)acetamide (CID 11589736) is 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(2-methylphenyl)acetamide?
The InChIKey is WIAHHWDLCXFARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF2NO3/c1-13-4-2-3-5-19(13)26-21(27)12-29-20-7-6-15(23)10-18(20)22(28)14-8-16(24)11-17(25)9-14/h2-11H,12H2,1H3,(H,26,27).
What are the key properties of 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(2-methylphenyl)acetamide?
2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(2-methylphenyl)acetamide has a molecular weight of 415.82 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 11589736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).