1-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea

C18H20F2N2O2 — CID 113213675

IUPAC1-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
SMILESCOc1ccc(C(C)(C)CNC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H20F2N2O2/c1-18(2,12-4-7-14(24-3)8-5-12)11-21-17(23)22-16-9-6-13(19)10-15(16)20/h4-10H,11H2,1-3H3,(H2,21,22,23)
InChIKeyCWEWTLVPEGIGJF-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.07
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea

1-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea (PubChem CID 113213675) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
PubChem CID113213675
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
SMILESCOc1ccc(C(C)(C)CNC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H20F2N2O2/c1-18(2,12-4-7-14(24-3)8-5-12)11-21-17(23)22-16-9-6-13(19)10-15(16)20/h4-10H,11H2,1-3H3,(H2,21,22,23)
InChIKeyCWEWTLVPEGIGJF-UHFFFAOYSA-N
XLogP4.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213625
1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea
CID 66168207
1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 972200
1-[2-(4-methoxyphenyl)-2-methylpropyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 113213647
2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 113090470
1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea
CID 66179176
1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213639
N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 53281950
1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894556
1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea
CID 113216228
N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide
CID 17424278
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 111505453

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea (CID 113213675) is 1-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea is COc1ccc(C(C)(C)CNC(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea?
The InChIKey is CWEWTLVPEGIGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-18(2,12-4-7-14(24-3)8-5-12)11-21-17(23)22-16-9-6-13(19)10-15(16)20/h4-10H,11H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea?
1-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea has a molecular weight of 334.37 g/mol, XLogP of 4.07, 5 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-[2-(4-methoxyphenyl)-2-methylpropyl]urea is sourced from PubChem (CID 113213675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).