1-(3-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C22H18F2N4O2 — CID 122263020

IUPAC1-(3-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2)ncn1)C1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C22H18F2N4O2/c23-16-6-4-14(5-7-16)20-10-18(26-13-27-20)11-25-22(30)15-8-21(29)28(12-15)19-3-1-2-17(24)9-19/h1-7,9-10,13,15H,8,11-12H2,(H,25,30)
InChIKeyHWOILQDDPQYSEI-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.09
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide

1-(3-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 122263020) has the molecular formula C22H18F2N4O2 and a molecular weight of 408.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID122263020
Molecular FormulaC22H18F2N4O2
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name1-(3-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2)ncn1)C1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C22H18F2N4O2/c23-16-6-4-14(5-7-16)20-10-18(26-13-27-20)11-25-22(30)15-8-21(29)28(12-15)19-3-1-2-17(24)9-19/h1-7,9-10,13,15H,8,11-12H2,(H,25,30)
InChIKeyHWOILQDDPQYSEI-UHFFFAOYSA-N
XLogP3.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 122262938
1-(3-methoxyphenyl)-5-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]pyrrolidine-3-carboxamide
CID 122261972
(3R)-1-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7228556
1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 110465285
N-[(4-fluorophenyl)methyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17433547
(3S)-1-(3-fluorophenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 93017520
(3S)-1-(4-fluorophenyl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 25409846
(3S)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 25410147
1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 16866958
N-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46705199
1-[3-(difluoromethyl)phenyl]-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 166541592
1-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 91779798

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 122263020) is 1-(3-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCc1cc(-c2ccc(F)cc2)ncn1)C1CC(=O)N(c2cccc(F)c2)C1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HWOILQDDPQYSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O2/c23-16-6-4-14(5-7-16)20-10-18(26-13-27-20)11-25-22(30)15-8-21(29)28(12-15)19-3-1-2-17(24)9-19/h1-7,9-10,13,15H,8,11-12H2,(H,25,30).
What are the key properties of 1-(3-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-(3-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 408.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122263020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).