1-(3-chloro-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H18ClFN2O3 — CID 113187995

IUPAC1-(3-chloro-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCc3ccccc3F)CC2=O)cc1Cl
InChIInChI=1S/C19H18ClFN2O3/c1-26-17-7-6-14(9-15(17)20)23-11-13(8-18(23)24)19(25)22-10-12-4-2-3-5-16(12)21/h2-7,9,13H,8,10-11H2,1H3,(H,22,25)
InChIKeyIFHJJAKRQHCXSO-UHFFFAOYSA-N
MW376.82 g/mol
LogP3.16
Rot. Bonds5

About 1-(3-chloro-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(3-chloro-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113187995) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113187995
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC Name1-(3-chloro-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCc3ccccc3F)CC2=O)cc1Cl
InChIInChI=1S/C19H18ClFN2O3/c1-26-17-7-6-14(9-15(17)20)23-11-13(8-18(23)24)19(25)22-10-12-4-2-3-5-16(12)21/h2-7,9,13H,8,10-11H2,1H3,(H,22,25)
InChIKeyIFHJJAKRQHCXSO-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3-chloro-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7325501
(3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 702195
1-(3,5-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109987
(3R)-1-(3-chloro-4-methoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97137942
N-[(2-fluorophenyl)methyl]-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189868
(3S)-1-(3-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 29094847
1-[4-(diethylamino)phenyl]-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113189737
(3R)-1-(3-chloro-4-methoxyphenyl)-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 97137882
N-[2-(2-fluorophenyl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46558078
(3S)-1-(4-ethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1372393
1-(4-ethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2889210
N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 113190723

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 113187995) is 1-(3-chloro-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NCc3ccccc3F)CC2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IFHJJAKRQHCXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c1-26-17-7-6-14(9-15(17)20)23-11-13(8-18(23)24)19(25)22-10-12-4-2-3-5-16(12)21/h2-7,9,13H,8,10-11H2,1H3,(H,22,25).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(3-chloro-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 376.82 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113187995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).