methyl 2-[[5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzoyl]amino]-2-phenylacetate

C22H23ClFNO4 — CID 167488516

IUPACmethyl 2-[[5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzoyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cc(Cl)c(OCC2CCCC2)cc1F)c1ccccc1
InChIInChI=1S/C22H23ClFNO4/c1-28-22(27)20(15-9-3-2-4-10-15)25-21(26)16-11-17(23)19(12-18(16)24)29-13-14-7-5-6-8-14/h2-4,9-12,14,20H,5-8,13H2,1H3,(H,25,26)
InChIKeyLPGQGMGFICRCLK-UHFFFAOYSA-N
MW419.88 g/mol
LogP4.69
Rot. Bonds7

About methyl 2-[[5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzoyl]amino]-2-phenylacetate

methyl 2-[[5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzoyl]amino]-2-phenylacetate (PubChem CID 167488516) has the molecular formula C22H23ClFNO4 and a molecular weight of 419.88 g/mol. Its IUPAC name is methyl 2-[[5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzoyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[[5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzoyl]amino]-2-phenylacetate
PubChem CID167488516
Molecular FormulaC22H23ClFNO4
Molecular Weight419.88 g/mol
Exact Mass419.13
IUPAC Namemethyl 2-[[5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzoyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cc(Cl)c(OCC2CCCC2)cc1F)c1ccccc1
InChIInChI=1S/C22H23ClFNO4/c1-28-22(27)20(15-9-3-2-4-10-15)25-21(26)16-11-17(23)19(12-18(16)24)29-13-14-7-5-6-8-14/h2-4,9-12,14,20H,5-8,13H2,1H3,(H,25,26)
InChIKeyLPGQGMGFICRCLK-UHFFFAOYSA-N
XLogP4.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.88
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-piperidin-4-ylsulfonylbenzamide
CID 167488669
5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]benzamide
CID 167488773
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-[4-[(3-methoxyphenyl)methoxy]phenyl]sulfonylbenzamide
CID 167488646
5-chloro-4-(cyclopentylmethoxy)-N-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]sulfonyl-2-fluorobenzamide
CID 167488521
N-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzamide
CID 171761882
5-chloro-2-fluoro-N-methylsulfonyl-4-(oxan-4-ylmethoxy)benzamide
CID 171343351
methyl 2-(2-cyclohexylethylamino)-2-phenylacetate
CID 78993355
N-[[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]sulfonyl]-5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzamide
CID 167488713
5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-(1,3-oxazinan-3-ylsulfonyl)benzamide
CID 175616364
5-chloro-N-(dimethylsulfamoyl)-2-fluoro-4-(spiro[3.5]nonan-7-ylmethoxy)benzamide
CID 86702851
5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-[3-[(3R)-pyrrolidin-3-yl]oxyazetidin-1-yl]sulfonylbenzamide
CID 167488867

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzoyl]amino]-2-phenylacetate?
The IUPAC name of methyl 2-[[5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzoyl]amino]-2-phenylacetate (CID 167488516) is methyl 2-[[5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzoyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[[5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzoyl]amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[[5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzoyl]amino]-2-phenylacetate is COC(=O)C(NC(=O)c1cc(Cl)c(OCC2CCCC2)cc1F)c1ccccc1.
What is the InChIKey of methyl 2-[[5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzoyl]amino]-2-phenylacetate?
The InChIKey is LPGQGMGFICRCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFNO4/c1-28-22(27)20(15-9-3-2-4-10-15)25-21(26)16-11-17(23)19(12-18(16)24)29-13-14-7-5-6-8-14/h2-4,9-12,14,20H,5-8,13H2,1H3,(H,25,26).
What are the key properties of methyl 2-[[5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzoyl]amino]-2-phenylacetate?
methyl 2-[[5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzoyl]amino]-2-phenylacetate has a molecular weight of 419.88 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzoyl]amino]-2-phenylacetate is sourced from PubChem (CID 167488516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).