1-(3-chloro-4-fluorophenyl)-3-[1-(2-methoxyethyl)indol-3-yl]urea

C18H17ClFN3O2 — CID 18582494

IUPAC1-(3-chloro-4-fluorophenyl)-3-[1-(2-methoxyethyl)indol-3-yl]urea
SMILESCOCCn1cc(NC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc21
InChIInChI=1S/C18H17ClFN3O2/c1-25-9-8-23-11-16(13-4-2-3-5-17(13)23)22-18(24)21-12-6-7-15(20)14(19)10-12/h2-7,10-11H,8-9H2,1H3,(H2,21,22,24)
InChIKeyLFWZTEOVUZWTOD-UHFFFAOYSA-N
MW361.80 g/mol
LogP4.72
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-3-[1-(2-methoxyethyl)indol-3-yl]urea

1-(3-chloro-4-fluorophenyl)-3-[1-(2-methoxyethyl)indol-3-yl]urea (PubChem CID 18582494) has the molecular formula C18H17ClFN3O2 and a molecular weight of 361.80 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[1-(2-methoxyethyl)indol-3-yl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[1-(2-methoxyethyl)indol-3-yl]urea
PubChem CID18582494
Molecular FormulaC18H17ClFN3O2
Molecular Weight361.80 g/mol
Exact Mass361.10
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[1-(2-methoxyethyl)indol-3-yl]urea
SMILESCOCCn1cc(NC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc21
InChIInChI=1S/C18H17ClFN3O2/c1-25-9-8-23-11-16(13-4-2-3-5-17(13)23)22-18(24)21-12-6-7-15(20)14(19)10-12/h2-7,10-11H,8-9H2,1H3,(H2,21,22,24)
InChIKeyLFWZTEOVUZWTOD-UHFFFAOYSA-N
XLogP4.72
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[1-(2-methoxyethyl)indol-3-yl]urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[1-(2-methoxyethyl)indol-3-yl]urea (CID 18582494) is 1-(3-chloro-4-fluorophenyl)-3-[1-(2-methoxyethyl)indol-3-yl]urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[1-(2-methoxyethyl)indol-3-yl]urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[1-(2-methoxyethyl)indol-3-yl]urea is COCCn1cc(NC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc21.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[1-(2-methoxyethyl)indol-3-yl]urea?
The InChIKey is LFWZTEOVUZWTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O2/c1-25-9-8-23-11-16(13-4-2-3-5-17(13)23)22-18(24)21-12-6-7-15(20)14(19)10-12/h2-7,10-11H,8-9H2,1H3,(H2,21,22,24).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[1-(2-methoxyethyl)indol-3-yl]urea?
1-(3-chloro-4-fluorophenyl)-3-[1-(2-methoxyethyl)indol-3-yl]urea has a molecular weight of 361.80 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[1-(2-methoxyethyl)indol-3-yl]urea is sourced from PubChem (CID 18582494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).