1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea

C15H15FN2O — CID 47172104

IUPAC1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C15H15FN2O/c1-11-4-2-7-14(8-11)18-15(19)17-10-12-5-3-6-13(16)9-12/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyNPHSDTVHDLEHFU-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.46
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea

1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea (PubChem CID 47172104) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
PubChem CID47172104
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C15H15FN2O/c1-11-4-2-7-14(8-11)18-15(19)17-10-12-5-3-6-13(16)9-12/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyNPHSDTVHDLEHFU-UHFFFAOYSA-N
XLogP3.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47192342
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 47192931
1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47194938
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite
CID 142259796
[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate
CID 108865379
1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea
CID 54944882
1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea
CID 108898481
1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 3444082
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 108866438

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea (CID 47172104) is 1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NCc2cccc(F)c2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea?
The InChIKey is NPHSDTVHDLEHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-11-4-2-7-14(8-11)18-15(19)17-10-12-5-3-6-13(16)9-12/h2-9H,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea?
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea has a molecular weight of 258.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 47172104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).