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

C17H20ClFN2O4 — CID 162102706

IUPACN-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-(4-oxopentyl)pyrrolidine-3-carboxamide
SMILESCC(=O)CCCN1CCC(O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O
InChIInChI=1S/C17H20ClFN2O4/c1-11(22)3-2-5-21-6-4-17(25,16(21)24)15(23)20-10-12-7-13(18)9-14(19)8-12/h7-9,25H,2-6,10H2,1H3,(H,20,23)
InChIKeyZFCFTOLLBQGEIL-UHFFFAOYSA-N
MW370.81 g/mol
LogP1.43
Rot. Bonds7

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

N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-(4-oxopentyl)pyrrolidine-3-carboxamide (PubChem CID 162102706) has the molecular formula C17H20ClFN2O4 and a molecular weight of 370.81 g/mol. Its IUPAC name is N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-(4-oxopentyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-(4-oxopentyl)pyrrolidine-3-carboxamide
PubChem CID162102706
Molecular FormulaC17H20ClFN2O4
Molecular Weight370.81 g/mol
Exact Mass370.11
IUPAC NameN-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-(4-oxopentyl)pyrrolidine-3-carboxamide
SMILESCC(=O)CCCN1CCC(O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O
InChIInChI=1S/C17H20ClFN2O4/c1-11(22)3-2-5-21-6-4-17(25,16(21)24)15(23)20-10-12-7-13(18)9-14(19)8-12/h7-9,25H,2-6,10H2,1H3,(H,20,23)
InChIKeyZFCFTOLLBQGEIL-UHFFFAOYSA-N
XLogP1.43
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 71815758
1-(1,3-benzothiazol-2-ylmethyl)-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 71815117
N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide
CID 71745053
(3R)-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-1-(1H-indol-6-yl)-2-oxopyrrolidine-3-carboxamide
CID 71815329
(3R)-1-(2-amino-3-ethylsulfonylphenyl)-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 121347018
(3S)-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 118884373
(3R)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(3,3-difluoro-2-oxo-1H-indol-5-yl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 71815256
3-[5-[3-[(3-chloro-5-fluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoic acid
CID 149364242
[5-[3-[(3-chloro-5-fluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-2,3-dihydroindol-1-yl] methyl carbonate
CID 118570472
(3S)-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)pyrrolidine-3-carboxamide
CID 170650182
3-[3-(3-chloro-5-fluorophenyl)propanoyl]-N-ethyl-3-hydroxy-2-oxopyrrolidine-1-carboxamide
CID 158543454
(3S)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(4-dicyclohexylphosphorylphenyl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 175974265

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-(4-oxopentyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-(4-oxopentyl)pyrrolidine-3-carboxamide (CID 162102706) is N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-(4-oxopentyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-(4-oxopentyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-(4-oxopentyl)pyrrolidine-3-carboxamide is CC(=O)CCCN1CCC(O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O.
What is the InChIKey of N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-(4-oxopentyl)pyrrolidine-3-carboxamide?
The InChIKey is ZFCFTOLLBQGEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2O4/c1-11(22)3-2-5-21-6-4-17(25,16(21)24)15(23)20-10-12-7-13(18)9-14(19)8-12/h7-9,25H,2-6,10H2,1H3,(H,20,23).
What are the key properties of N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-(4-oxopentyl)pyrrolidine-3-carboxamide?
N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-(4-oxopentyl)pyrrolidine-3-carboxamide has a molecular weight of 370.81 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-(4-oxopentyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 162102706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).