1-[3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-yl]-3-(2,4-difluorophenyl)urea

C21H12ClF3N2O2 — CID 15285310

IUPAC1-[3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-yl]-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1oc2ccc(F)cc2c1-c1ccccc1Cl
InChIInChI=1S/C21H12ClF3N2O2/c22-15-4-2-1-3-13(15)19-14-9-11(23)6-8-18(14)29-20(19)27-21(28)26-17-7-5-12(24)10-16(17)25/h1-10H,(H2,26,27,28)
InChIKeyGRPBTHJFSWSXIK-UHFFFAOYSA-N
MW416.79 g/mol
LogP6.81
Rot. Bonds3

About 1-[3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-yl]-3-(2,4-difluorophenyl)urea

1-[3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-yl]-3-(2,4-difluorophenyl)urea (PubChem CID 15285310) has the molecular formula C21H12ClF3N2O2 and a molecular weight of 416.79 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-yl]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-yl]-3-(2,4-difluorophenyl)urea
PubChem CID15285310
Molecular FormulaC21H12ClF3N2O2
Molecular Weight416.79 g/mol
Exact Mass416.05
IUPAC Name1-[3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-yl]-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1oc2ccc(F)cc2c1-c1ccccc1Cl
InChIInChI=1S/C21H12ClF3N2O2/c22-15-4-2-1-3-13(15)19-14-9-11(23)6-8-18(14)29-20(19)27-21(28)26-17-7-5-12(24)10-16(17)25/h1-10H,(H2,26,27,28)
InChIKeyGRPBTHJFSWSXIK-UHFFFAOYSA-N
XLogP6.81
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.79
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-chlorophenyl)-5,6-dimethyl-1-benzothiophen-2-yl]-3-(2,4-difluorophenyl)urea
CID 18688840
1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea
CID 15285317
1-[8-chloro-4-(2-chlorophenyl)quinolin-3-yl]-3-(2,4-difluorophenyl)urea
CID 67786930
1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-[2-(dimethylamino)-6-methylphenyl]urea
CID 15285324
1-[4-(2-chlorophenyl)-2-methylthieno[2,3-b]pyridin-5-yl]-3-(2,4-difluorophenyl)urea
CID 19787165
ethyl 3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxylate
CID 18688795
1-[5-chloro-3-(2-methylsulfanylphenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea
CID 18688796
1-(2-chloro-4-hydroxyphenyl)-3-(2,4-difluorophenyl)urea
CID 64789111
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 4562852
1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
1-(2,4-difluorophenyl)-3-(2-phenoxyphenyl)urea
CID 108992692

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-yl]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-yl]-3-(2,4-difluorophenyl)urea (CID 15285310) is 1-[3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-yl]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-yl]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-yl]-3-(2,4-difluorophenyl)urea is O=C(Nc1ccc(F)cc1F)Nc1oc2ccc(F)cc2c1-c1ccccc1Cl.
What is the InChIKey of 1-[3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-yl]-3-(2,4-difluorophenyl)urea?
The InChIKey is GRPBTHJFSWSXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF3N2O2/c22-15-4-2-1-3-13(15)19-14-9-11(23)6-8-18(14)29-20(19)27-21(28)26-17-7-5-12(24)10-16(17)25/h1-10H,(H2,26,27,28).
What are the key properties of 1-[3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-yl]-3-(2,4-difluorophenyl)urea?
1-[3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-yl]-3-(2,4-difluorophenyl)urea has a molecular weight of 416.79 g/mol, XLogP of 6.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-yl]-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 15285310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).