1-[2-(2-chlorophenyl)ethyl]-N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide

C21H20ClFN2O3 — CID 54698184

IUPAC1-[2-(2-chlorophenyl)ethyl]-N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)C1=C(O)C(=O)N(CCc2ccccc2Cl)C1
InChIInChI=1S/C21H20ClFN2O3/c1-24(12-14-6-8-16(23)9-7-14)20(27)17-13-25(21(28)19(17)26)11-10-15-4-2-3-5-18(15)22/h2-9,26H,10-13H2,1H3
InChIKeyLJARHJXCJHBKPI-UHFFFAOYSA-N
MW402.85 g/mol
LogP3.33
Rot. Bonds6

About 1-[2-(2-chlorophenyl)ethyl]-N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide

1-[2-(2-chlorophenyl)ethyl]-N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 54698184) has the molecular formula C21H20ClFN2O3 and a molecular weight of 402.85 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID54698184
Molecular FormulaC21H20ClFN2O3
Molecular Weight402.85 g/mol
Exact Mass402.11
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)C1=C(O)C(=O)N(CCc2ccccc2Cl)C1
InChIInChI=1S/C21H20ClFN2O3/c1-24(12-14-6-8-16(23)9-7-14)20(27)17-13-25(21(28)19(17)26)11-10-15-4-2-3-5-18(15)22/h2-9,26H,10-13H2,1H3
InChIKeyLJARHJXCJHBKPI-UHFFFAOYSA-N
XLogP3.33
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-1-(2-hydroxyethyl)-N-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 54704636
methyl 5-[3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]pentanoate
CID 142849014
4-[3-[(4-fluoro-2-methylsulfonylphenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]butanoic acid
CID 54691766
N-[(4-fluorophenyl)methyl]-N-methyl-4,5-dioxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 91460941
2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 112792625
4-hydroxy-N,1-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 54704610
N-[(2-chlorophenyl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79532591
2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 126464486
ethyl 1-[(2-chlorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
CID 54737684
N-[(4-fluorophenyl)methyl]-N-methyl-4,5-dioxo-1-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 90692035
N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxamide
CID 54733179
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide (CID 54698184) is 1-[2-(2-chlorophenyl)ethyl]-N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide is CN(Cc1ccc(F)cc1)C(=O)C1=C(O)C(=O)N(CCc2ccccc2Cl)C1.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is LJARHJXCJHBKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O3/c1-24(12-14-6-8-16(23)9-7-14)20(27)17-13-25(21(28)19(17)26)11-10-15-4-2-3-5-18(15)22/h2-9,26H,10-13H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide?
1-[2-(2-chlorophenyl)ethyl]-N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 402.85 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 54698184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).