(2-chloro-6-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate

C18H15ClFNO3 — CID 19590567

IUPAC(2-chloro-6-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
SMILESO=C(OCc1c(F)cccc1Cl)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H15ClFNO3/c19-15-7-4-8-16(20)14(15)11-24-18(23)12-9-17(22)21(10-12)13-5-2-1-3-6-13/h1-8,12H,9-11H2
InChIKeyQGVXDINVJSINAY-UHFFFAOYSA-N
MW347.77 g/mol
LogP3.58
Rot. Bonds4

About (2-chloro-6-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate

(2-chloro-6-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate (PubChem CID 19590567) has the molecular formula C18H15ClFNO3 and a molecular weight of 347.77 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
PubChem CID19590567
Molecular FormulaC18H15ClFNO3
Molecular Weight347.77 g/mol
Exact Mass347.07
IUPAC Name(2-chloro-6-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
SMILESO=C(OCc1c(F)cccc1Cl)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H15ClFNO3/c19-15-7-4-8-16(20)14(15)11-24-18(23)12-9-17(22)21(10-12)13-5-2-1-3-6-13/h1-8,12H,9-11H2
InChIKeyQGVXDINVJSINAY-UHFFFAOYSA-N
XLogP3.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-6-fluorophenyl)methyl 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 3392488
(2-chlorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
CID 19615215
(4-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
CID 19615469
(2,6-dichlorophenyl)methyl (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466508
(2-chlorophenyl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 952072
(3R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 7282872
(2-chloro-6-fluorophenyl)methyl cyclohexanecarboxylate
CID 2436177
(2-chlorophenyl)methyl (3R)-1-(4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 1218871
ethyl (3R)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075857
2,2,2-trifluoroethyl 1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 71572693
(3-chlorophenyl)methyl (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 952069
ethyl (3S)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075742

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate (CID 19590567) is (2-chloro-6-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate is O=C(OCc1c(F)cccc1Cl)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The InChIKey is QGVXDINVJSINAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO3/c19-15-7-4-8-16(20)14(15)11-24-18(23)12-9-17(22)21(10-12)13-5-2-1-3-6-13/h1-8,12H,9-11H2.
What are the key properties of (2-chloro-6-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate?
(2-chloro-6-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate has a molecular weight of 347.77 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 19590567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).