1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea

C21H14F3N3O — CID 46381076

IUPAC1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C21H14F3N3O/c22-14-3-7-18-13(9-14)10-20(26-18)12-1-5-16(6-2-12)25-21(28)27-19-8-4-15(23)11-17(19)24/h1-11,26H,(H2,25,27,28)
InChIKeyYDCVNYGTYCKADH-UHFFFAOYSA-N
MW381.36 g/mol
LogP5.90
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea

1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea (PubChem CID 46381076) has the molecular formula C21H14F3N3O and a molecular weight of 381.36 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
PubChem CID46381076
Molecular FormulaC21H14F3N3O
Molecular Weight381.36 g/mol
Exact Mass381.11
IUPAC Name1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C21H14F3N3O/c22-14-3-7-18-13(9-14)10-20(26-18)12-1-5-16(6-2-12)25-21(28)27-19-8-4-15(23)11-17(19)24/h1-11,26H,(H2,25,27,28)
InChIKeyYDCVNYGTYCKADH-UHFFFAOYSA-N
XLogP5.90
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.36
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381042
1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 46381077
1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea
CID 46381079
1-cyclopentyl-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381066
2-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide
CID 46334527
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
methyl 4-[[3-(5-fluoro-1H-indol-2-yl)phenyl]carbamoylamino]benzoate
CID 46380934
1-(4-fluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea
CID 46380896
4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide
CID 46334542
N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-fluorobenzamide
CID 46334597
1-(2,5-difluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea
CID 46380900
1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea
CID 16777898

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea (CID 46381076) is 1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea is O=C(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea?
The InChIKey is YDCVNYGTYCKADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O/c22-14-3-7-18-13(9-14)10-20(26-18)12-1-5-16(6-2-12)25-21(28)27-19-8-4-15(23)11-17(19)24/h1-11,26H,(H2,25,27,28).
What are the key properties of 1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea?
1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea has a molecular weight of 381.36 g/mol, XLogP of 5.90, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea is sourced from PubChem (CID 46381076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).