N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide

C19H15ClF4N2O2 — CID 4175486

IUPACN-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C1CCCN1CN(C(=O)c1ccccc1C(F)(F)F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H15ClF4N2O2/c20-15-10-12(7-8-16(15)21)26(11-25-9-3-6-17(25)27)18(28)13-4-1-2-5-14(13)19(22,23)24/h1-2,4-5,7-8,10H,3,6,9,11H2
InChIKeyZDBVAUHXIIRXAV-UHFFFAOYSA-N
MW414.79 g/mol
LogP4.72
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide

N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 4175486) has the molecular formula C19H15ClF4N2O2 and a molecular weight of 414.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID4175486
Molecular FormulaC19H15ClF4N2O2
Molecular Weight414.79 g/mol
Exact Mass414.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C1CCCN1CN(C(=O)c1ccccc1C(F)(F)F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H15ClF4N2O2/c20-15-10-12(7-8-16(15)21)26(11-25-9-3-6-17(25)27)18(28)13-4-1-2-5-14(13)19(22,23)24/h1-2,4-5,7-8,10H,3,6,9,11H2
InChIKeyZDBVAUHXIIRXAV-UHFFFAOYSA-N
XLogP4.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.79
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]furan-2-carboxamide
CID 4148078
N-(3-chloro-4-fluorophenyl)-3,4,5-trimethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3429451
N-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4099523
2-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5072378
N-(1,3-benzothiazol-2-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide
CID 4252029
5-chloro-N-(3-chlorophenyl)-2-methoxy-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4582519
5-bromo-2-chloro-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4301432
4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3576394
N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3644568
N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4279260
2-bromo-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4275302
N-(4-fluorophenyl)-3,4-dimethyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3244651

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide (CID 4175486) is N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide is O=C1CCCN1CN(C(=O)c1ccccc1C(F)(F)F)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is ZDBVAUHXIIRXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF4N2O2/c20-15-10-12(7-8-16(15)21)26(11-25-9-3-6-17(25)27)18(28)13-4-1-2-5-14(13)19(22,23)24/h1-2,4-5,7-8,10H,3,6,9,11H2.
What are the key properties of N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide?
N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 414.79 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 4175486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).