2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide

C16H18ClF3N2O3 — CID 124848979

IUPAC2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide
SMILESCOCCN1C[C@@H](CNC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1=O
InChIInChI=1S/C16H18ClF3N2O3/c1-25-5-4-22-9-10(6-14(22)23)8-21-15(24)12-7-11(16(18,19)20)2-3-13(12)17/h2-3,7,10H,4-6,8-9H2,1H3,(H,21,24)/t10-/m1/s1
InChIKeyNULJMNPLVQFJQN-SNVBAGLBSA-N
MW378.78 g/mol
LogP2.58
Rot. Bonds6

About 2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide

2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide (PubChem CID 124848979) has the molecular formula C16H18ClF3N2O3 and a molecular weight of 378.78 g/mol. Its IUPAC name is 2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide
PubChem CID124848979
Molecular FormulaC16H18ClF3N2O3
Molecular Weight378.78 g/mol
Exact Mass378.10
IUPAC Name2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide
SMILESCOCCN1C[C@@H](CNC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1=O
InChIInChI=1S/C16H18ClF3N2O3/c1-25-5-4-22-9-10(6-14(22)23)8-21-15(24)12-7-11(16(18,19)20)2-3-13(12)17/h2-3,7,10H,4-6,8-9H2,1H3,(H,21,24)/t10-/m1/s1
InChIKeyNULJMNPLVQFJQN-SNVBAGLBSA-N
XLogP2.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.78
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide (CID 124848979) is 2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide is COCCN1C[C@@H](CNC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1=O.
What is the InChIKey of 2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide?
The InChIKey is NULJMNPLVQFJQN-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18ClF3N2O3/c1-25-5-4-22-9-10(6-14(22)23)8-21-15(24)12-7-11(16(18,19)20)2-3-13(12)17/h2-3,7,10H,4-6,8-9H2,1H3,(H,21,24)/t10-/m1/s1.
What are the key properties of 2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide?
2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide has a molecular weight of 378.78 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 124848979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).