1-(4-fluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea

C16H14FN3O — CID 164953050

IUPAC1-(4-fluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea
SMILESC=C1Cc2cc(NC(=O)Nc3ccc(F)cc3)ccc2N1
InChIInChI=1S/C16H14FN3O/c1-10-8-11-9-14(6-7-15(11)18-10)20-16(21)19-13-4-2-12(17)3-5-13/h2-7,9,18H,1,8H2,(H2,19,20,21)
InChIKeyOAJVJHFXFNNJIE-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.95
Rot. Bonds2

About 1-(4-fluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea

1-(4-fluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea (PubChem CID 164953050) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea
PubChem CID164953050
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name1-(4-fluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea
SMILESC=C1Cc2cc(NC(=O)Nc3ccc(F)cc3)ccc2N1
InChIInChI=1S/C16H14FN3O/c1-10-8-11-9-14(6-7-15(11)18-10)20-16(21)19-13-4-2-12(17)3-5-13/h2-7,9,18H,1,8H2,(H2,19,20,21)
InChIKeyOAJVJHFXFNNJIE-UHFFFAOYSA-N
XLogP3.95
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea
CID 165032676
1-(5-chloro-2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea
CID 164995558
1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901955
1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 155113952
1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375542
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 30375883
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376046
1-(4-bromophenyl)-3-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)urea
CID 165003152
(2S)-1-N,2-N-bis(4-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 21177965
1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 75523388

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea (CID 164953050) is 1-(4-fluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea is C=C1Cc2cc(NC(=O)Nc3ccc(F)cc3)ccc2N1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea?
The InChIKey is OAJVJHFXFNNJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10-8-11-9-14(6-7-15(11)18-10)20-16(21)19-13-4-2-12(17)3-5-13/h2-7,9,18H,1,8H2,(H2,19,20,21).
What are the key properties of 1-(4-fluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea?
1-(4-fluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea has a molecular weight of 283.31 g/mol, XLogP of 3.95, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea is sourced from PubChem (CID 164953050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).