N-[(3-chloro-4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C20H20ClFN2O2 — CID 53041215

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H20ClFN2O2/c21-17-10-15(6-7-18(17)22)12-23-20(26)16-11-19(25)24(13-16)9-8-14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2,(H,23,26)
InChIKeyCYVNIJGJZVZZIB-UHFFFAOYSA-N
MW374.84 g/mol
LogP3.19
Rot. Bonds6

About N-[(3-chloro-4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 53041215) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID53041215
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H20ClFN2O2/c21-17-10-15(6-7-18(17)22)12-23-20(26)16-11-19(25)24(13-16)9-8-14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2,(H,23,26)
InChIKeyCYVNIJGJZVZZIB-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
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N-((S)-1-(2-(1-((3R,4S)-1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine-4-carbonyl)piperidin-4-yl)-5-chlorophenyl)propyl)acetamide
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(3S)-N-[(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 53041215) is N-[(3-chloro-4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is O=C(NCc1ccc(F)c(Cl)c1)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is CYVNIJGJZVZZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c21-17-10-15(6-7-18(17)22)12-23-20(26)16-11-19(25)24(13-16)9-8-14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2,(H,23,26).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 374.84 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 53041215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).