N-[[(2R,3S)-2-(2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide

C19H14ClF5N2O2 — CID 167512570

IUPACN-[[(2R,3S)-2-(2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C1C[C@@H](CNC(=O)c2cc(F)cc(C(F)(F)F)c2)[C@H](c2cc(F)ccc2Cl)N1
InChIInChI=1S/C19H14ClF5N2O2/c20-15-2-1-12(21)7-14(15)17-10(5-16(28)27-17)8-26-18(29)9-3-11(19(23,24)25)6-13(22)4-9/h1-4,6-7,10,17H,5,8H2,(H,26,29)(H,27,28)/t10-,17+/m0/s1
InChIKeyJEHXOKCXTGKIPQ-DYZYQPBXSA-N
MW432.78 g/mol
LogP4.24
Rot. Bonds4

About N-[[(2R,3S)-2-(2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide

N-[[(2R,3S)-2-(2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 167512570) has the molecular formula C19H14ClF5N2O2 and a molecular weight of 432.78 g/mol. Its IUPAC name is N-[[(2R,3S)-2-(2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[(2R,3S)-2-(2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide
PubChem CID167512570
Molecular FormulaC19H14ClF5N2O2
Molecular Weight432.78 g/mol
Exact Mass432.07
IUPAC NameN-[[(2R,3S)-2-(2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C1C[C@@H](CNC(=O)c2cc(F)cc(C(F)(F)F)c2)[C@H](c2cc(F)ccc2Cl)N1
InChIInChI=1S/C19H14ClF5N2O2/c20-15-2-1-12(21)7-14(15)17-10(5-16(28)27-17)8-26-18(29)9-3-11(19(23,24)25)6-13(22)4-9/h1-4,6-7,10,17H,5,8H2,(H,26,29)(H,27,28)/t10-,17+/m0/s1
InChIKeyJEHXOKCXTGKIPQ-DYZYQPBXSA-N
XLogP4.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.78
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-2-(2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[[(2R,3S)-2-(2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide (CID 167512570) is N-[[(2R,3S)-2-(2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[(2R,3S)-2-(2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[(2R,3S)-2-(2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide is O=C1C[C@@H](CNC(=O)c2cc(F)cc(C(F)(F)F)c2)[C@H](c2cc(F)ccc2Cl)N1.
What is the InChIKey of N-[[(2R,3S)-2-(2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is JEHXOKCXTGKIPQ-DYZYQPBXSA-N. The full InChI is InChI=1S/C19H14ClF5N2O2/c20-15-2-1-12(21)7-14(15)17-10(5-16(28)27-17)8-26-18(29)9-3-11(19(23,24)25)6-13(22)4-9/h1-4,6-7,10,17H,5,8H2,(H,26,29)(H,27,28)/t10-,17+/m0/s1.
What are the key properties of N-[[(2R,3S)-2-(2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide?
N-[[(2R,3S)-2-(2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 432.78 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-2-(2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 167512570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).