1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea

C15H11ClFN3O — CID 7616069

IUPAC1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)Nc1c[nH]c2ccccc12
InChIInChI=1S/C15H11ClFN3O/c16-11-7-9(5-6-12(11)17)19-15(21)20-14-8-18-13-4-2-1-3-10(13)14/h1-8,18H,(H2,19,20,21)
InChIKeyFIZBGICLEFIIKN-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.60
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea

1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea (PubChem CID 7616069) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea
PubChem CID7616069
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)Nc1c[nH]c2ccccc12
InChIInChI=1S/C15H11ClFN3O/c16-11-7-9(5-6-12(11)17)19-15(21)20-14-8-18-13-4-2-1-3-10(13)14/h1-8,18H,(H2,19,20,21)
InChIKeyFIZBGICLEFIIKN-UHFFFAOYSA-N
XLogP4.60
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea
CID 108871538
1-[4-(3,3-difluorocyclobutyl)-3-fluorophenyl]-3-(1H-indol-3-yl)urea
CID 156574323
1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea
CID 7616079
1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859814
1-(3-chloro-4-fluorophenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]thiourea
CID 8767861
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
2-chloro-N-(1H-indol-3-yl)benzamide
CID 56763159
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113047833
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113165218
1-(3H-benzimidazol-5-yl)-3-(3-chloro-4-fluorophenyl)urea
CID 108885972
1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea
CID 7616071

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea (CID 7616069) is 1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea is O=C(Nc1ccc(F)c(Cl)c1)Nc1c[nH]c2ccccc12.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea?
The InChIKey is FIZBGICLEFIIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c16-11-7-9(5-6-12(11)17)19-15(21)20-14-8-18-13-4-2-1-3-10(13)14/h1-8,18H,(H2,19,20,21).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea?
1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea has a molecular weight of 303.72 g/mol, XLogP of 4.60, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea is sourced from PubChem (CID 7616069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).