1-(2,5-difluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea

C21H15F2N3O — CID 46380900

IUPAC1-(2,5-difluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea
SMILESO=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)Nc1cc(F)ccc1F
InChIInChI=1S/C21H15F2N3O/c22-15-8-9-17(23)20(12-15)26-21(27)24-16-6-3-5-13(10-16)19-11-14-4-1-2-7-18(14)25-19/h1-12,25H,(H2,24,26,27)
InChIKeyKHGQMIWHWSYVIJ-UHFFFAOYSA-N
MW363.37 g/mol
LogP5.76
Rot. Bonds3

About 1-(2,5-difluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea

1-(2,5-difluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea (PubChem CID 46380900) has the molecular formula C21H15F2N3O and a molecular weight of 363.37 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea
PubChem CID46380900
Molecular FormulaC21H15F2N3O
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name1-(2,5-difluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea
SMILESO=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)Nc1cc(F)ccc1F
InChIInChI=1S/C21H15F2N3O/c22-15-8-9-17(23)20(12-15)26-21(27)24-16-6-3-5-13(10-16)19-11-14-4-1-2-7-18(14)25-19/h1-12,25H,(H2,24,26,27)
InChIKeyKHGQMIWHWSYVIJ-UHFFFAOYSA-N
XLogP5.76
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.37
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea
CID 46380896
methyl 4-[[3-(5-fluoro-1H-indol-2-yl)phenyl]carbamoylamino]benzoate
CID 46380934
1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
CID 3468982
1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46380970
1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381076
N-[3-(5-fluoro-1H-indol-2-yl)phenyl]butanamide
CID 46375026
N-[3-(1H-indol-2-yl)phenyl]pentanamide
CID 46374998
1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea
CID 46381079
1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea
CID 46384330
1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 46380914
1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea
CID 46380950
methyl 3-[[2-(1H-indol-2-yl)phenyl]carbamoylamino]benzoate
CID 46384340

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea (CID 46380900) is 1-(2,5-difluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea is O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)Nc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea?
The InChIKey is KHGQMIWHWSYVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O/c22-15-8-9-17(23)20(12-15)26-21(27)24-16-6-3-5-13(10-16)19-11-14-4-1-2-7-18(14)25-19/h1-12,25H,(H2,24,26,27).
What are the key properties of 1-(2,5-difluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea?
1-(2,5-difluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea has a molecular weight of 363.37 g/mol, XLogP of 5.76, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea is sourced from PubChem (CID 46380900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).