1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea

C15H16FN3O — CID 43744329

IUPAC1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NCc2cccc(F)c2)cc1
InChIInChI=1S/C15H16FN3O/c1-17-15(20)19-14-7-5-13(6-8-14)18-10-11-3-2-4-12(16)9-11/h2-9,18H,10H2,1H3,(H2,17,19,20)
InChIKeyYEHLSVVQAGUSSR-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.19
Rot. Bonds4

About 1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea

1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea (PubChem CID 43744329) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea
PubChem CID43744329
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NCc2cccc(F)c2)cc1
InChIInChI=1S/C15H16FN3O/c1-17-15(20)19-14-7-5-13(6-8-14)18-10-11-3-2-4-12(16)9-11/h2-9,18H,10H2,1H3,(H2,17,19,20)
InChIKeyYEHLSVVQAGUSSR-UHFFFAOYSA-N
XLogP3.19
TPSA53.16 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 ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(3-fluorophenyl)methylamino]phenyl]urea
CID 43744874
1-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744335
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
1-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]-3-methylurea
CID 107694378
1-fluoro-3-methylbenzene;1-methyl-3-(4-methylphenyl)urea
CID 143402372
1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 3444082
1-methyl-3-[4-[(4-methylsulfanylphenyl)methylamino]phenyl]urea
CID 43744305
1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744437
N-[(3-fluorophenyl)methyl]-4-propylaniline
CID 29045443
1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744357
1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47192342
(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
CID 28970574

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea?
The IUPAC name of 1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea (CID 43744329) is 1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea?
The canonical SMILES for 1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea is CNC(=O)Nc1ccc(NCc2cccc(F)c2)cc1.
What is the InChIKey of 1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea?
The InChIKey is YEHLSVVQAGUSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-17-15(20)19-14-7-5-13(6-8-14)18-10-11-3-2-4-12(16)9-11/h2-9,18H,10H2,1H3,(H2,17,19,20).
What are the key properties of 1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea?
1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea has a molecular weight of 273.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea is sourced from PubChem (CID 43744329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).