1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea

C15H15F2N3O2 — CID 36873297

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1ccc(OC(F)F)cc1)NCc1cccnc1
InChIInChI=1S/C15H15F2N3O2/c16-14(17)22-13-5-3-11(4-6-13)9-19-15(21)20-10-12-2-1-7-18-8-12/h1-8,14H,9-10H2,(H2,19,20,21)
InChIKeyPUYVWDACJFOHCC-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.68
Rot. Bonds6

About 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea

1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 36873297) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID36873297
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1ccc(OC(F)F)cc1)NCc1cccnc1
InChIInChI=1S/C15H15F2N3O2/c16-14(17)22-13-5-3-11(4-6-13)9-19-15(21)20-10-12-2-1-7-18-8-12/h1-8,14H,9-10H2,(H2,19,20,21)
InChIKeyPUYVWDACJFOHCC-UHFFFAOYSA-N
XLogP2.68
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)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-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 35556031
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 71868680
(E)-3-[4-(difluoromethoxy)phenyl]-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 2310363
(E)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 2314487
1-[(2R)-2-phenoxybutyl]-3-(pyridin-3-ylmethyl)urea
CID 95337146
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-ylacetamide
CID 111424709
1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
CID 55738771
N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide
CID 3823851
(2S)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40624060
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-enamide
CID 55708144
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
(1S)-1-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine
CID 97096345

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea (CID 36873297) is 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea is O=C(NCc1ccc(OC(F)F)cc1)NCc1cccnc1.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is PUYVWDACJFOHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c16-14(17)22-13-5-3-11(4-6-13)9-19-15(21)20-10-12-2-1-7-18-8-12/h1-8,14H,9-10H2,(H2,19,20,21).
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea?
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 307.30 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 36873297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).