N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(fluoromethyl)benzamide

C18H15ClF2N2O2 — CID 167829897

IUPACN-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(fluoromethyl)benzamide
SMILESO=C(NC1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc(CF)cc1
InChIInChI=1S/C18H15ClF2N2O2/c19-15-6-5-14(8-16(15)21)23-10-13(7-17(23)24)22-18(25)12-3-1-11(9-20)2-4-12/h1-6,8,13H,7,9-10H2,(H,22,25)
InChIKeyCUKKVCOHYIEKQP-UHFFFAOYSA-N
MW364.78 g/mol
LogP3.48
Rot. Bonds4

About N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(fluoromethyl)benzamide

N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(fluoromethyl)benzamide (PubChem CID 167829897) has the molecular formula C18H15ClF2N2O2 and a molecular weight of 364.78 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(fluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(fluoromethyl)benzamide
PubChem CID167829897
Molecular FormulaC18H15ClF2N2O2
Molecular Weight364.78 g/mol
Exact Mass364.08
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(fluoromethyl)benzamide
SMILESO=C(NC1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc(CF)cc1
InChIInChI=1S/C18H15ClF2N2O2/c19-15-6-5-14(8-16(15)21)23-10-13(7-17(23)24)22-18(25)12-3-1-11(9-20)2-4-12/h1-6,8,13H,7,9-10H2,(H,22,25)
InChIKeyCUKKVCOHYIEKQP-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.78
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-ethylbenzamide
CID 166374685
4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide
CID 16822308
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzamide
CID 7547730
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304
N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 138996663
4-tert-butyl-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563819
4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563649
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-[2-(difluoromethoxy)phenyl]acetamide
CID 138996642
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 16822307

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(fluoromethyl)benzamide?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(fluoromethyl)benzamide (CID 167829897) is N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(fluoromethyl)benzamide.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(fluoromethyl)benzamide?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(fluoromethyl)benzamide is O=C(NC1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc(CF)cc1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(fluoromethyl)benzamide?
The InChIKey is CUKKVCOHYIEKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N2O2/c19-15-6-5-14(8-16(15)21)23-10-13(7-17(23)24)22-18(25)12-3-1-11(9-20)2-4-12/h1-6,8,13H,7,9-10H2,(H,22,25).
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(fluoromethyl)benzamide?
N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(fluoromethyl)benzamide has a molecular weight of 364.78 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(fluoromethyl)benzamide is sourced from PubChem (CID 167829897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).