1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea

C20H22FN3O2 — CID 78892840

IUPAC1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
SMILESCN(Cc1cccc(F)c1)C(=O)Nc1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C20H22FN3O2/c1-23(13-16-4-2-5-17(21)12-16)20(26)22-18-9-7-15(8-10-18)14-24-11-3-6-19(24)25/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3,(H,22,26)
InChIKeyYWYSZJKCVUTCTD-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.61
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea

1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea (PubChem CID 78892840) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
PubChem CID78892840
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
SMILESCN(Cc1cccc(F)c1)C(=O)Nc1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C20H22FN3O2/c1-23(13-16-4-2-5-17(21)12-16)20(26)22-18-9-7-15(8-10-18)14-24-11-3-6-19(24)25/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3,(H,22,26)
InChIKeyYWYSZJKCVUTCTD-UHFFFAOYSA-N
XLogP3.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]-1-methyl-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 60614515
3-[4-(cyanomethyl)phenyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86987977
1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111285443
1-[(3-fluorophenyl)methyl]-1-methyl-3-(4-methylsulfanylphenyl)urea
CID 86988074
1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 55696103
1-[(3-fluorophenyl)methyl]-1-methyl-3-(4-nitrophenyl)urea
CID 86976512
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78892865
1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 86988170
3-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986919
3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 78891504
1-benzyl-3-ethyl-1-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 110950462
1-[(3-chlorophenyl)methyl]-1,2-dimethyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111305930

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea (CID 78892840) is 1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea is CN(Cc1cccc(F)c1)C(=O)Nc1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
The InChIKey is YWYSZJKCVUTCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-23(13-16-4-2-5-17(21)12-16)20(26)22-18-9-7-15(8-10-18)14-24-11-3-6-19(24)25/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3,(H,22,26).
What are the key properties of 1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea has a molecular weight of 355.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea is sourced from PubChem (CID 78892840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).