1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea

C16H17FN2O3 — CID 971209

IUPAC1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C)c(F)c2)cc1OC
InChIInChI=1S/C16H17FN2O3/c1-10-4-5-11(8-13(10)17)18-16(20)19-12-6-7-14(21-2)15(9-12)22-3/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyPPIAKRFGJAIXBF-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.80
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea

1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea (PubChem CID 971209) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea
PubChem CID971209
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C)c(F)c2)cc1OC
InChIInChI=1S/C16H17FN2O3/c1-10-4-5-11(8-13(10)17)18-16(20)19-12-6-7-14(21-2)15(9-12)22-3/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyPPIAKRFGJAIXBF-UHFFFAOYSA-N
XLogP3.80
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9215674
1-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)urea
CID 23764462
1-(3-fluoro-4-methylphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
CID 122302650
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866246
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009628
1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4995213
3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040581
4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide
CID 9216174
3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 46657771
(3,4-dimethoxyphenyl)urea
CID 21197430
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 2495762

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea (CID 971209) is 1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea is COc1ccc(NC(=O)Nc2ccc(C)c(F)c2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea?
The InChIKey is PPIAKRFGJAIXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-10-4-5-11(8-13(10)17)18-16(20)19-12-6-7-14(21-2)15(9-12)22-3/h4-9H,1-3H3,(H2,18,19,20).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea?
1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea has a molecular weight of 304.32 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea is sourced from PubChem (CID 971209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).