1-(2,6-difluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea

C19H19F2N3O2 — CID 40913409

IUPAC1-(2,6-difluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
SMILESCc1ccc(N2C[C@H](CNC(=O)Nc3c(F)cccc3F)CC2=O)cc1
InChIInChI=1S/C19H19F2N3O2/c1-12-5-7-14(8-6-12)24-11-13(9-17(24)25)10-22-19(26)23-18-15(20)3-2-4-16(18)21/h2-8,13H,9-11H2,1H3,(H2,22,23,26)/t13-/m0/s1
InChIKeyOIDFKLLNCVLQPB-ZDUSSCGKSA-N
MW359.38 g/mol
LogP3.45
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea

1-(2,6-difluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea (PubChem CID 40913409) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
PubChem CID40913409
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name1-(2,6-difluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
SMILESCc1ccc(N2C[C@H](CNC(=O)Nc3c(F)cccc3F)CC2=O)cc1
InChIInChI=1S/C19H19F2N3O2/c1-12-5-7-14(8-6-12)24-11-13(9-17(24)25)10-22-19(26)23-18-15(20)3-2-4-16(18)21/h2-8,13H,9-11H2,1H3,(H2,22,23,26)/t13-/m0/s1
InChIKeyOIDFKLLNCVLQPB-ZDUSSCGKSA-N
XLogP3.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-difluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea with MolForge

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Related Compounds

1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 40913151
1-(3-methylphenyl)-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920185
1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2,6-dimethoxyphenyl)urea
CID 16920167
1-(2,3-dimethoxyphenyl)-3-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913422
1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920080
1-(3,4-dimethoxyphenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913389
methyl N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 16919084
1-(4-ethoxyphenyl)-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920193
2-(3-methylphenyl)-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40897451
1-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea
CID 40912872
1-(4-chlorophenyl)-3-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913146
1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920233

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea (CID 40913409) is 1-(2,6-difluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea is Cc1ccc(N2C[C@H](CNC(=O)Nc3c(F)cccc3F)CC2=O)cc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
The InChIKey is OIDFKLLNCVLQPB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-12-5-7-14(8-6-12)24-11-13(9-17(24)25)10-22-19(26)23-18-15(20)3-2-4-16(18)21/h2-8,13H,9-11H2,1H3,(H2,22,23,26)/t13-/m0/s1.
What are the key properties of 1-(2,6-difluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
1-(2,6-difluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea has a molecular weight of 359.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 40913409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).