1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea

C15H14F2N2O2 — CID 972200

IUPAC1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(F)cc2F)c(C)c1
InChIInChI=1S/C15H14F2N2O2/c1-9-7-11(21-2)4-6-13(9)18-15(20)19-14-5-3-10(16)8-12(14)17/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyTVKLLDDVGJAVAH-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.93
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea

1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea (PubChem CID 972200) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea
PubChem CID972200
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(F)cc2F)c(C)c1
InChIInChI=1S/C15H14F2N2O2/c1-9-7-11(21-2)4-6-13(9)18-15(20)19-14-5-3-10(16)8-12(14)17/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyTVKLLDDVGJAVAH-UHFFFAOYSA-N
XLogP3.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
N'-(2,4-difluorophenyl)-N-(2,4-dimethoxyphenyl)oxamide
CID 44998467
1-(2,3-dimethylphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860194
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 2955398
1-(5-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)urea
CID 970666
N-(4-fluoro-2-methylphenyl)-2-(4-methoxyphenyl)acetamide
CID 2676308
1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 46859657
1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 43288460
1-(4-acetylphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 2954642

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea (CID 972200) is 1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea is COc1ccc(NC(=O)Nc2ccc(F)cc2F)c(C)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea?
The InChIKey is TVKLLDDVGJAVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-9-7-11(21-2)4-6-13(9)18-15(20)19-14-5-3-10(16)8-12(14)17/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea?
1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea has a molecular weight of 292.29 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea is sourced from PubChem (CID 972200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).