1-(1-ethylindol-3-yl)-3-[2-(4-fluorophenyl)ethyl]urea

C19H20FN3O — CID 18582399

IUPAC1-(1-ethylindol-3-yl)-3-[2-(4-fluorophenyl)ethyl]urea
SMILESCCn1cc(NC(=O)NCCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C19H20FN3O/c1-2-23-13-17(16-5-3-4-6-18(16)23)22-19(24)21-12-11-14-7-9-15(20)10-8-14/h3-10,13H,2,11-12H2,1H3,(H2,21,22,24)
InChIKeyIRZNFQZNKXFIIT-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.16
Rot. Bonds5

About 1-(1-ethylindol-3-yl)-3-[2-(4-fluorophenyl)ethyl]urea

1-(1-ethylindol-3-yl)-3-[2-(4-fluorophenyl)ethyl]urea (PubChem CID 18582399) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 1-(1-ethylindol-3-yl)-3-[2-(4-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(1-ethylindol-3-yl)-3-[2-(4-fluorophenyl)ethyl]urea
PubChem CID18582399
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name1-(1-ethylindol-3-yl)-3-[2-(4-fluorophenyl)ethyl]urea
SMILESCCn1cc(NC(=O)NCCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C19H20FN3O/c1-2-23-13-17(16-5-3-4-6-18(16)23)22-19(24)21-12-11-14-7-9-15(20)10-8-14/h3-10,13H,2,11-12H2,1H3,(H2,21,22,24)
InChIKeyIRZNFQZNKXFIIT-UHFFFAOYSA-N
XLogP4.16
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylindol-3-yl)urea
CID 18582320
4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide
CID 22522951
1-(2,3-dimethylphenyl)-3-(1-ethylindol-3-yl)urea
CID 40519720
2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 4649358
2-[2-(4-fluorophenyl)ethylcarbamoylamino]benzamide
CID 108902156
1,1-diethyl-3-(1-ethylindol-3-yl)urea
CID 40519589
1-(4-ethoxyphenyl)-3-(1-ethylindol-3-yl)urea
CID 18582412
1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 115575958
1-[2-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 11762084
N-[2-(3,4-diethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 20899940
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindol-3-yl)-3-[2-(4-fluorophenyl)ethyl]urea?
The IUPAC name of 1-(1-ethylindol-3-yl)-3-[2-(4-fluorophenyl)ethyl]urea (CID 18582399) is 1-(1-ethylindol-3-yl)-3-[2-(4-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(1-ethylindol-3-yl)-3-[2-(4-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-(1-ethylindol-3-yl)-3-[2-(4-fluorophenyl)ethyl]urea is CCn1cc(NC(=O)NCCc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 1-(1-ethylindol-3-yl)-3-[2-(4-fluorophenyl)ethyl]urea?
The InChIKey is IRZNFQZNKXFIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-2-23-13-17(16-5-3-4-6-18(16)23)22-19(24)21-12-11-14-7-9-15(20)10-8-14/h3-10,13H,2,11-12H2,1H3,(H2,21,22,24).
What are the key properties of 1-(1-ethylindol-3-yl)-3-[2-(4-fluorophenyl)ethyl]urea?
1-(1-ethylindol-3-yl)-3-[2-(4-fluorophenyl)ethyl]urea has a molecular weight of 325.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindol-3-yl)-3-[2-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 18582399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).