1-(5-chloro-2-methoxyphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea

C21H25ClFN3O2 — CID 15989564

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C21H25ClFN3O2/c1-28-20-7-6-17(22)12-19(20)25-21(27)24-13-15-8-10-26(11-9-15)14-16-4-2-3-5-18(16)23/h2-7,12,15H,8-11,13-14H2,1H3,(H2,24,25,27)
InChIKeyLOGLBGSTNVTMEV-UHFFFAOYSA-N
MW405.90 g/mol
LogP4.52
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea

1-(5-chloro-2-methoxyphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea (PubChem CID 15989564) has the molecular formula C21H25ClFN3O2 and a molecular weight of 405.90 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
PubChem CID15989564
Molecular FormulaC21H25ClFN3O2
Molecular Weight405.90 g/mol
Exact Mass405.16
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C21H25ClFN3O2/c1-28-20-7-6-17(22)12-19(20)25-21(27)24-13-15-8-10-26(11-9-15)14-16-4-2-3-5-18(16)23/h2-7,12,15H,8-11,13-14H2,1H3,(H2,24,25,27)
InChIKeyLOGLBGSTNVTMEV-UHFFFAOYSA-N
XLogP4.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.90
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2-methoxyphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea (CID 15989564) is 1-(5-chloro-2-methoxyphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea is COc1ccc(Cl)cc1NC(=O)NCC1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea?
The InChIKey is LOGLBGSTNVTMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN3O2/c1-28-20-7-6-17(22)12-19(20)25-21(27)24-13-15-8-10-26(11-9-15)14-16-4-2-3-5-18(16)23/h2-7,12,15H,8-11,13-14H2,1H3,(H2,24,25,27).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea has a molecular weight of 405.90 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea is sourced from PubChem (CID 15989564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).