1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-3-[3-(4-hydroxyphenyl)-2-(methylamino)propyl]urea

C20H26FN3O3 — CID 135214235

IUPAC1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-3-[3-(4-hydroxyphenyl)-2-(methylamino)propyl]urea
SMILESCNC(CNC(=O)NCCc1ccc(F)cc1OC)Cc1ccc(O)cc1
InChIInChI=1S/C20H26FN3O3/c1-22-17(11-14-3-7-18(25)8-4-14)13-24-20(26)23-10-9-15-5-6-16(21)12-19(15)27-2/h3-8,12,17,22,25H,9-11,13H2,1-2H3,(H2,23,24,26)
InChIKeyBZVPOWZNYPCPTC-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.21
Rot. Bonds9

About 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-3-[3-(4-hydroxyphenyl)-2-(methylamino)propyl]urea

1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-3-[3-(4-hydroxyphenyl)-2-(methylamino)propyl]urea (PubChem CID 135214235) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-3-[3-(4-hydroxyphenyl)-2-(methylamino)propyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-3-[3-(4-hydroxyphenyl)-2-(methylamino)propyl]urea
PubChem CID135214235
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC Name1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-3-[3-(4-hydroxyphenyl)-2-(methylamino)propyl]urea
SMILESCNC(CNC(=O)NCCc1ccc(F)cc1OC)Cc1ccc(O)cc1
InChIInChI=1S/C20H26FN3O3/c1-22-17(11-14-3-7-18(25)8-4-14)13-24-20(26)23-10-9-15-5-6-16(21)12-19(15)27-2/h3-8,12,17,22,25H,9-11,13H2,1-2H3,(H2,23,24,26)
InChIKeyBZVPOWZNYPCPTC-UHFFFAOYSA-N
XLogP2.21
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-3-[3-(4-hydroxyphenyl)-2-(methylamino)propyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(4-fluorophenyl)ethyl]-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropyl]urea
CID 145230156
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 111118085
1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111338565
N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 71919055
1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217101
5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 110795187
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea
CID 111458129
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112976999
4-[2-(4-fluoro-2-methoxyanilino)propyl]phenol
CID 115494278
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
1-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 62600154

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-3-[3-(4-hydroxyphenyl)-2-(methylamino)propyl]urea?
The IUPAC name of 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-3-[3-(4-hydroxyphenyl)-2-(methylamino)propyl]urea (CID 135214235) is 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-3-[3-(4-hydroxyphenyl)-2-(methylamino)propyl]urea.
What is the SMILES notation for 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-3-[3-(4-hydroxyphenyl)-2-(methylamino)propyl]urea?
The canonical SMILES for 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-3-[3-(4-hydroxyphenyl)-2-(methylamino)propyl]urea is CNC(CNC(=O)NCCc1ccc(F)cc1OC)Cc1ccc(O)cc1.
What is the InChIKey of 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-3-[3-(4-hydroxyphenyl)-2-(methylamino)propyl]urea?
The InChIKey is BZVPOWZNYPCPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3/c1-22-17(11-14-3-7-18(25)8-4-14)13-24-20(26)23-10-9-15-5-6-16(21)12-19(15)27-2/h3-8,12,17,22,25H,9-11,13H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-3-[3-(4-hydroxyphenyl)-2-(methylamino)propyl]urea?
1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-3-[3-(4-hydroxyphenyl)-2-(methylamino)propyl]urea has a molecular weight of 375.44 g/mol, XLogP of 2.21, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-3-[3-(4-hydroxyphenyl)-2-(methylamino)propyl]urea is sourced from PubChem (CID 135214235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).