N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[2-(difluoromethoxy)phenyl]acetamide

C19H16ClF3N2O3 — CID 138996642

IUPACN-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[2-(difluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccccc1OC(F)F)NC1CC(=O)N(c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C19H16ClF3N2O3/c20-14-6-5-13(9-15(14)21)25-10-12(8-18(25)27)24-17(26)7-11-3-1-2-4-16(11)28-19(22)23/h1-6,9,12,19H,7-8,10H2,(H,24,26)
InChIKeyKBWJPYNJZUNIKL-UHFFFAOYSA-N
MW412.80 g/mol
LogP3.54
Rot. Bonds6

About N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[2-(difluoromethoxy)phenyl]acetamide

N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[2-(difluoromethoxy)phenyl]acetamide (PubChem CID 138996642) has the molecular formula C19H16ClF3N2O3 and a molecular weight of 412.80 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[2-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[2-(difluoromethoxy)phenyl]acetamide
PubChem CID138996642
Molecular FormulaC19H16ClF3N2O3
Molecular Weight412.80 g/mol
Exact Mass412.08
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[2-(difluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccccc1OC(F)F)NC1CC(=O)N(c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C19H16ClF3N2O3/c20-14-6-5-13(9-15(14)21)25-10-12(8-18(25)27)24-17(26)7-11-3-1-2-4-16(11)28-19(22)23/h1-6,9,12,19H,7-8,10H2,(H,24,26)
InChIKeyKBWJPYNJZUNIKL-UHFFFAOYSA-N
XLogP3.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.80
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 138996663
N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(fluoromethyl)benzamide
CID 167829897
N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-ethylbenzamide
CID 166374685
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-naphthalen-1-ylacetamide
CID 7563968
1-[(2-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 16819874
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide
CID 7255738
2-(2-fluorophenoxy)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 16822267
2-(4-fluorophenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254979
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methoxyphenyl)methyl]urea
CID 7548992
1-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215500
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971138
(3S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41369270

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[2-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[2-(difluoromethoxy)phenyl]acetamide (CID 138996642) is N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[2-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[2-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[2-(difluoromethoxy)phenyl]acetamide is O=C(Cc1ccccc1OC(F)F)NC1CC(=O)N(c2ccc(Cl)c(F)c2)C1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[2-(difluoromethoxy)phenyl]acetamide?
The InChIKey is KBWJPYNJZUNIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N2O3/c20-14-6-5-13(9-15(14)21)25-10-12(8-18(25)27)24-17(26)7-11-3-1-2-4-16(11)28-19(22)23/h1-6,9,12,19H,7-8,10H2,(H,24,26).
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[2-(difluoromethoxy)phenyl]acetamide?
N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[2-(difluoromethoxy)phenyl]acetamide has a molecular weight of 412.80 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[2-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 138996642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).