3-[3-[(3-fluorophenyl)methoxy]phenyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea

C26H28FN3O2 — CID 52667538

IUPAC3-[3-[(3-fluorophenyl)methoxy]phenyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)Nc1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C26H28FN3O2/c1-29(18-21-9-2-3-13-25(21)30-14-4-5-15-30)26(31)28-23-11-7-12-24(17-23)32-19-20-8-6-10-22(27)16-20/h2-3,6-13,16-17H,4-5,14-15,18-19H2,1H3,(H,28,31)
InChIKeyODKUZYUBLUJIFE-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.67
Rot. Bonds7

About 3-[3-[(3-fluorophenyl)methoxy]phenyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea

3-[3-[(3-fluorophenyl)methoxy]phenyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea (PubChem CID 52667538) has the molecular formula C26H28FN3O2 and a molecular weight of 433.53 g/mol. Its IUPAC name is 3-[3-[(3-fluorophenyl)methoxy]phenyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name3-[3-[(3-fluorophenyl)methoxy]phenyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
PubChem CID52667538
Molecular FormulaC26H28FN3O2
Molecular Weight433.53 g/mol
Exact Mass433.22
IUPAC Name3-[3-[(3-fluorophenyl)methoxy]phenyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)Nc1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C26H28FN3O2/c1-29(18-21-9-2-3-13-25(21)30-14-4-5-15-30)26(31)28-23-11-7-12-24(17-23)32-19-20-8-6-10-22(27)16-20/h2-3,6-13,16-17H,4-5,14-15,18-19H2,1H3,(H,28,31)
InChIKeyODKUZYUBLUJIFE-UHFFFAOYSA-N
XLogP5.67
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-[(3-fluorophenyl)methoxy]phenyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)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

Related Compounds

3-(3-methoxyphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 51328293
2-[3-[[methyl-[(2-morpholin-4-ylphenyl)methyl]carbamoyl]amino]phenoxy]acetamide
CID 166202726
1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 51264469
1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 55696576
1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea
CID 86988690
3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 55697476
1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 86988170
3-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 112838468
N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-(2-nitrophenyl)acetamide
CID 52702165
ethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate
CID 24551621
4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide
CID 120560905
2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 86909479

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-fluorophenyl)methoxy]phenyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea?
The IUPAC name of 3-[3-[(3-fluorophenyl)methoxy]phenyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea (CID 52667538) is 3-[3-[(3-fluorophenyl)methoxy]phenyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea.
What is the SMILES notation for 3-[3-[(3-fluorophenyl)methoxy]phenyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea?
The canonical SMILES for 3-[3-[(3-fluorophenyl)methoxy]phenyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea is CN(Cc1ccccc1N1CCCC1)C(=O)Nc1cccc(OCc2cccc(F)c2)c1.
What is the InChIKey of 3-[3-[(3-fluorophenyl)methoxy]phenyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea?
The InChIKey is ODKUZYUBLUJIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O2/c1-29(18-21-9-2-3-13-25(21)30-14-4-5-15-30)26(31)28-23-11-7-12-24(17-23)32-19-20-8-6-10-22(27)16-20/h2-3,6-13,16-17H,4-5,14-15,18-19H2,1H3,(H,28,31).
What are the key properties of 3-[3-[(3-fluorophenyl)methoxy]phenyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea?
3-[3-[(3-fluorophenyl)methoxy]phenyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea has a molecular weight of 433.53 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-fluorophenyl)methoxy]phenyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea is sourced from PubChem (CID 52667538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).