1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea

C19H22F2N2O3 — CID 42924613

IUPAC1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC(C)c2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C19H22F2N2O3/c1-12(14-5-6-15(20)16(21)11-14)23-19(24)22-9-8-13-4-7-17(25-2)18(10-13)26-3/h4-7,10-12H,8-9H2,1-3H3,(H2,22,23,24)
InChIKeyXCFBOBGJPSZKCH-UHFFFAOYSA-N
MW364.39 g/mol
LogP3.58
Rot. Bonds7

About 1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea

1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea (PubChem CID 42924613) has the molecular formula C19H22F2N2O3 and a molecular weight of 364.39 g/mol. Its IUPAC name is 1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
PubChem CID42924613
Molecular FormulaC19H22F2N2O3
Molecular Weight364.39 g/mol
Exact Mass364.16
IUPAC Name1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC(C)c2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C19H22F2N2O3/c1-12(14-5-6-15(20)16(21)11-14)23-19(24)22-9-8-13-4-7-17(25-2)18(10-13)26-3/h4-7,10-12H,8-9H2,1-3H3,(H2,22,23,24)
InChIKeyXCFBOBGJPSZKCH-UHFFFAOYSA-N
XLogP3.58
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea (CID 42924613) is 1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)NC(C)c2ccc(F)c(F)c2)cc1OC.
What is the InChIKey of 1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The InChIKey is XCFBOBGJPSZKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3/c1-12(14-5-6-15(20)16(21)11-14)23-19(24)22-9-8-13-4-7-17(25-2)18(10-13)26-3/h4-7,10-12H,8-9H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea has a molecular weight of 364.39 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-difluorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 42924613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).