1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea

C20H17FN2O2 — CID 108988918

IUPAC1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea
SMILESO=C(NCc1ccccc1F)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H17FN2O2/c21-17-11-5-4-8-15(17)14-22-20(24)23-18-12-6-7-13-19(18)25-16-9-2-1-3-10-16/h1-13H,14H2,(H2,22,23,24)
InChIKeyIGHOVUULUCXJHA-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.94
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea

1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea (PubChem CID 108988918) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea
PubChem CID108988918
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea
SMILESO=C(NCc1ccccc1F)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H17FN2O2/c21-17-11-5-4-8-15(17)14-22-20(24)23-18-12-6-7-13-19(18)25-16-9-2-1-3-10-16/h1-13H,14H2,(H2,22,23,24)
InChIKeyIGHOVUULUCXJHA-UHFFFAOYSA-N
XLogP4.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(2-phenoxyphenyl)urea
CID 3763327
2-[(2-fluorophenyl)methylamino]-N-(2-phenoxyphenyl)acetamide
CID 108997601
1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 52595761
1-(methoxymethyl)-3-(2-phenoxyphenyl)urea
CID 110676062
1-(2,4-difluorophenyl)-3-(2-phenoxyphenyl)urea
CID 108992692
1-(4-fluorophenyl)-3-(2-phenoxyphenyl)urea
CID 971524
1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 45016319
1-butyl-3-(2-phenoxyphenyl)urea
CID 604054
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 52593579
1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea
CID 47039486
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-phenoxyphenyl)methyl]urea
CID 60600547

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea (CID 108988918) is 1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea is O=C(NCc1ccccc1F)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea?
The InChIKey is IGHOVUULUCXJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c21-17-11-5-4-8-15(17)14-22-20(24)23-18-12-6-7-13-19(18)25-16-9-2-1-3-10-16/h1-13H,14H2,(H2,22,23,24).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea?
1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea has a molecular weight of 336.37 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea is sourced from PubChem (CID 108988918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).