N,1-bis[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H18F2N2O2 — CID 46109622

IUPACN,1-bis[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H18F2N2O2/c20-16-5-1-13(2-6-16)10-22-19(25)15-9-18(24)23(12-15)11-14-3-7-17(21)8-4-14/h1-8,15H,9-12H2,(H,22,25)
InChIKeyUYTVOMBORHNQGU-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.63
Rot. Bonds5

About N,1-bis[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N,1-bis[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46109622) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is N,1-bis[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,1-bis[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46109622
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC NameN,1-bis[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H18F2N2O2/c20-16-5-1-13(2-6-16)10-22-19(25)15-9-18(24)23(12-15)11-14-3-7-17(21)8-4-14/h1-8,15H,9-12H2,(H,22,25)
InChIKeyUYTVOMBORHNQGU-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-1-[(2S)-2-amino-4-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-4-oxobutanoyl]pyrrolidine-2-carbonitrile
CID 23646026
Ksp-IA
CID 24901494
1-cyclopentyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16307848
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CID 4079537
N-Benzyl-3-(4-phenyl-1,2,3,6-tetrahydropyridino)-propionamide
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N1-(4-fluorobenzyl)-2-benzyl-N3-hydroxymalonamide
CID 16114884
3-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 24901493
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373
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CID 3663590

Frequently Asked Questions

What is the IUPAC name of N,1-bis[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N,1-bis[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 46109622) is N,1-bis[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N,1-bis[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N,1-bis[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccc(F)cc1)C1CC(=O)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of N,1-bis[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UYTVOMBORHNQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c20-16-5-1-13(2-6-16)10-22-19(25)15-9-18(24)23(12-15)11-14-3-7-17(21)8-4-14/h1-8,15H,9-12H2,(H,22,25).
What are the key properties of N,1-bis[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N,1-bis[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46109622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).