1-[4-(difluoromethoxy)phenyl]-3-(1-ethylindol-3-yl)urea

C18H17F2N3O2 — CID 18582423

IUPAC1-[4-(difluoromethoxy)phenyl]-3-(1-ethylindol-3-yl)urea
SMILESCCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
InChIInChI=1S/C18H17F2N3O2/c1-2-23-11-15(14-5-3-4-6-16(14)23)22-18(24)21-12-7-9-13(10-8-12)25-17(19)20/h3-11,17H,2H2,1H3,(H2,21,22,24)
InChIKeyXAEASRIIEZEKAT-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.91
Rot. Bonds5

About 1-[4-(difluoromethoxy)phenyl]-3-(1-ethylindol-3-yl)urea

1-[4-(difluoromethoxy)phenyl]-3-(1-ethylindol-3-yl)urea (PubChem CID 18582423) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-(1-ethylindol-3-yl)urea.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-(1-ethylindol-3-yl)urea
PubChem CID18582423
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-(1-ethylindol-3-yl)urea
SMILESCCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21
InChIInChI=1S/C18H17F2N3O2/c1-2-23-11-15(14-5-3-4-6-16(14)23)22-18(24)21-12-7-9-13(10-8-12)25-17(19)20/h3-11,17H,2H2,1H3,(H2,21,22,24)
InChIKeyXAEASRIIEZEKAT-UHFFFAOYSA-N
XLogP4.91
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-(1-ethylindol-3-yl)urea?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-(1-ethylindol-3-yl)urea (CID 18582423) is 1-[4-(difluoromethoxy)phenyl]-3-(1-ethylindol-3-yl)urea.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-(1-ethylindol-3-yl)urea?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-(1-ethylindol-3-yl)urea is CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-(1-ethylindol-3-yl)urea?
The InChIKey is XAEASRIIEZEKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c1-2-23-11-15(14-5-3-4-6-16(14)23)22-18(24)21-12-7-9-13(10-8-12)25-17(19)20/h3-11,17H,2H2,1H3,(H2,21,22,24).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-(1-ethylindol-3-yl)urea?
1-[4-(difluoromethoxy)phenyl]-3-(1-ethylindol-3-yl)urea has a molecular weight of 345.35 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-3-(1-ethylindol-3-yl)urea is sourced from PubChem (CID 18582423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).