1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-fluorophenyl)urea

C18H22FN3O — CID 24768228

IUPAC1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-fluorophenyl)urea
SMILESCCN(CCNC(=O)Nc1ccccc1F)c1cccc(C)c1
InChIInChI=1S/C18H22FN3O/c1-3-22(15-8-6-7-14(2)13-15)12-11-20-18(23)21-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyUPWLIQJVALARRK-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.78
Rot. Bonds6

About 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-fluorophenyl)urea

1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-fluorophenyl)urea (PubChem CID 24768228) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-fluorophenyl)urea
PubChem CID24768228
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-fluorophenyl)urea
SMILESCCN(CCNC(=O)Nc1ccccc1F)c1cccc(C)c1
InChIInChI=1S/C18H22FN3O/c1-3-22(15-8-6-7-14(2)13-15)12-11-20-18(23)21-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyUPWLIQJVALARRK-UHFFFAOYSA-N
XLogP3.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-fluorophenyl)urea (CID 24768228) is 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-fluorophenyl)urea is CCN(CCNC(=O)Nc1ccccc1F)c1cccc(C)c1.
What is the InChIKey of 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-fluorophenyl)urea?
The InChIKey is UPWLIQJVALARRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-3-22(15-8-6-7-14(2)13-15)12-11-20-18(23)21-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-fluorophenyl)urea?
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-fluorophenyl)urea has a molecular weight of 315.39 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 24768228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).