1-(2,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea

C23H20FN3O3 — CID 53114241

IUPAC1-(2,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea
SMILESCOc1ccc(NC(=O)Nc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c(OC)c1
InChIInChI=1S/C23H20FN3O3/c1-29-16-11-12-19(20(13-16)30-2)26-23(28)27-22-17-5-3-4-6-18(17)25-21(22)14-7-9-15(24)10-8-14/h3-13,25H,1-2H3,(H2,26,27,28)
InChIKeyHDGNJXUJNHKTGS-UHFFFAOYSA-N
MW405.43 g/mol
LogP5.64
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea

1-(2,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea (PubChem CID 53114241) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea
PubChem CID53114241
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea
SMILESCOc1ccc(NC(=O)Nc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c(OC)c1
InChIInChI=1S/C23H20FN3O3/c1-29-16-11-12-19(20(13-16)30-2)26-23(28)27-22-17-5-3-4-6-18(17)25-21(22)14-7-9-15(24)10-8-14/h3-13,25H,1-2H3,(H2,26,27,28)
InChIKeyHDGNJXUJNHKTGS-UHFFFAOYSA-N
XLogP5.64
TPSA75.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.43
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea
CID 53114266
1-(2-methoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea
CID 53114255
1-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-(2,4-dimethoxyphenyl)urea
CID 46386809
N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide
CID 51489549
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
1-(2,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 92875953
1-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea
CID 46386740
1-(5-chloro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2,5-dimethoxyphenyl)urea
CID 46386755
N-(2,4-dimethoxyphenyl)-6-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110860582
N-(2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4907918
1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea
CID 2209592
N'-(2,4-difluorophenyl)-N-(2,4-dimethoxyphenyl)oxamide
CID 44998467

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea (CID 53114241) is 1-(2,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea is COc1ccc(NC(=O)Nc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea?
The InChIKey is HDGNJXUJNHKTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-29-16-11-12-19(20(13-16)30-2)26-23(28)27-22-17-5-3-4-6-18(17)25-21(22)14-7-9-15(24)10-8-14/h3-13,25H,1-2H3,(H2,26,27,28).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea?
1-(2,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea has a molecular weight of 405.43 g/mol, XLogP of 5.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea is sourced from PubChem (CID 53114241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).