1-(2-chloro-4,6-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C20H20ClFN2O2 — CID 113187895

IUPAC1-(2-chloro-4,6-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)c(N2CC(C(=O)NCc3ccc(F)cc3)CC2=O)c(Cl)c1
InChIInChI=1S/C20H20ClFN2O2/c1-12-7-13(2)19(17(21)8-12)24-11-15(9-18(24)25)20(26)23-10-14-3-5-16(22)6-4-14/h3-8,15H,9-11H2,1-2H3,(H,23,26)
InChIKeyDCBODHKHKLRJCI-UHFFFAOYSA-N
MW374.84 g/mol
LogP3.77
Rot. Bonds4

About 1-(2-chloro-4,6-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(2-chloro-4,6-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113187895) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113187895
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC Name1-(2-chloro-4,6-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)c(N2CC(C(=O)NCc3ccc(F)cc3)CC2=O)c(Cl)c1
InChIInChI=1S/C20H20ClFN2O2/c1-12-7-13(2)19(17(21)8-12)24-11-15(9-18(24)25)20(26)23-10-14-3-5-16(22)6-4-14/h3-8,15H,9-11H2,1-2H3,(H,23,26)
InChIKeyDCBODHKHKLRJCI-UHFFFAOYSA-N
XLogP3.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109483
1-(5-chloro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187572
1-(4-chloro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187685
1-(3,5-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191135
1-(3-fluoro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 18157395
N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186745
1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113187924
1-(2,6-dichlorophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191238
N-[(4-fluorophenyl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42881995
N-[(4-fluorophenyl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192507
N-(2-chloro-4,6-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187357
1-(2-chloro-4,6-dimethylphenyl)-N-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113187915

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 113187895) is 1-(2-chloro-4,6-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)c(N2CC(C(=O)NCc3ccc(F)cc3)CC2=O)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DCBODHKHKLRJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c1-12-7-13(2)19(17(21)8-12)24-11-15(9-18(24)25)20(26)23-10-14-3-5-16(22)6-4-14/h3-8,15H,9-11H2,1-2H3,(H,23,26).
What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-chloro-4,6-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 374.84 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113187895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).