1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea

C15H14F2N2O — CID 47194938

IUPAC1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H14F2N2O/c1-10-3-2-4-11(7-10)9-18-15(20)19-12-5-6-13(16)14(17)8-12/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyVIBQHXDTDSIHNC-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.59
Rot. Bonds3

About 1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea

1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea (PubChem CID 47194938) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea
PubChem CID47194938
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H14F2N2O/c1-10-3-2-4-11(7-10)9-18-15(20)19-12-5-6-13(16)14(17)8-12/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyVIBQHXDTDSIHNC-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019740
2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108997018
2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
CID 42663674
1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 108866438
1-[(3-methylphenyl)methyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871988
1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea
CID 54944882
1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898098
1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47258349
1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47192342

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea (CID 47194938) is 1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea is Cc1cccc(CNC(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea?
The InChIKey is VIBQHXDTDSIHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-10-3-2-4-11(7-10)9-18-15(20)19-12-5-6-13(16)14(17)8-12/h2-8H,9H2,1H3,(H2,18,19,20).
What are the key properties of 1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea?
1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea has a molecular weight of 276.29 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea is sourced from PubChem (CID 47194938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).