[3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea

C15H16FN3O — CID 103944178

IUPAC[3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea
SMILESCc1ccc(F)cc1CNc1cccc(NC(N)=O)c1
InChIInChI=1S/C15H16FN3O/c1-10-5-6-12(16)7-11(10)9-18-13-3-2-4-14(8-13)19-15(17)20/h2-8,18H,9H2,1H3,(H3,17,19,20)
InChIKeyOYRIIVAINYEBLS-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.24
Rot. Bonds4

About [3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea

[3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea (PubChem CID 103944178) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is [3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea.

Molecular Properties

Compound Name[3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea
PubChem CID103944178
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name[3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea
SMILESCc1ccc(F)cc1CNc1cccc(NC(N)=O)c1
InChIInChI=1S/C15H16FN3O/c1-10-5-6-12(16)7-11(10)9-18-13-3-2-4-14(8-13)19-15(17)20/h2-8,18H,9H2,1H3,(H3,17,19,20)
InChIKeyOYRIIVAINYEBLS-UHFFFAOYSA-N
XLogP3.24
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(2-chloro-4-fluorophenyl)methylamino]phenyl]urea
CID 103818257
[3-[(2-hydroxyphenyl)methylamino]phenyl]urea
CID 43744546
2-chloro-5-[(5-fluoro-2-methylphenyl)methylamino]benzamide
CID 102670907
[3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea
CID 43744507
N-[4-[(5-fluoro-2-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 103943723
methyl N-[3-[(2-bromo-5-fluorophenyl)methylamino]phenyl]carbamate
CID 103866126
[3-(3-methylbutylamino)phenyl]urea
CID 43744542
3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide
CID 9097762
N-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide
CID 28661893
[3-[(3-chloro-5-fluorophenyl)methylamino]phenyl]urea
CID 114452582
3-[(2,4,5-trimethylphenyl)methylamino]benzamide
CID 43767609
2-[3-[(5-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile
CID 103960910

Frequently Asked Questions

What is the IUPAC name of [3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea?
The IUPAC name of [3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea (CID 103944178) is [3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea.
What is the SMILES notation for [3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea?
The canonical SMILES for [3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea is Cc1ccc(F)cc1CNc1cccc(NC(N)=O)c1.
What is the InChIKey of [3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea?
The InChIKey is OYRIIVAINYEBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10-5-6-12(16)7-11(10)9-18-13-3-2-4-14(8-13)19-15(17)20/h2-8,18H,9H2,1H3,(H3,17,19,20).
What are the key properties of [3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea?
[3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea has a molecular weight of 273.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea is sourced from PubChem (CID 103944178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).