1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea

C20H21ClFN3O2 — CID 51325902

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
SMILESCN(Cc1c(F)cccc1Cl)C(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H21ClFN3O2/c1-24(13-16-17(21)4-2-5-18(16)22)20(27)23-12-14-7-9-15(10-8-14)25-11-3-6-19(25)26/h2,4-5,7-10H,3,6,11-13H2,1H3,(H,23,27)
InChIKeyJYZBCWARLCDRAR-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.95
Rot. Bonds5

About 1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea

1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea (PubChem CID 51325902) has the molecular formula C20H21ClFN3O2 and a molecular weight of 389.86 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
PubChem CID51325902
Molecular FormulaC20H21ClFN3O2
Molecular Weight389.86 g/mol
Exact Mass389.13
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
SMILESCN(Cc1c(F)cccc1Cl)C(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H21ClFN3O2/c1-24(13-16-17(21)4-2-5-18(16)22)20(27)23-12-14-7-9-15(10-8-14)25-11-3-6-19(25)26/h2,4-5,7-10H,3,6,11-13H2,1H3,(H,23,27)
InChIKeyJYZBCWARLCDRAR-UHFFFAOYSA-N
XLogP3.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea with MolForge

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]urea
CID 86831379
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32757723
4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
CID 34855876
2-(dimethylamino)-2-(2-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 50974021
(E)-3-(2,6-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 8589365
N-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide
CID 18083832
4-chloro-2-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589680
3-(2,3-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 38932202
1-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111413138
1-[4-[(2-acetyl-3-fluoroanilino)methyl]phenyl]piperidin-2-one
CID 47981818
2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide
CID 8589010
1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 55696103

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea (CID 51325902) is 1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea is CN(Cc1c(F)cccc1Cl)C(=O)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
The InChIKey is JYZBCWARLCDRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O2/c1-24(13-16-17(21)4-2-5-18(16)22)20(27)23-12-14-7-9-15(10-8-14)25-11-3-6-19(25)26/h2,4-5,7-10H,3,6,11-13H2,1H3,(H,23,27).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea has a molecular weight of 389.86 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea is sourced from PubChem (CID 51325902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).