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

C17H18F2N2O3 — CID 883790

IUPAC1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc(F)cc2F)cc1OC
InChIInChI=1S/C17H18F2N2O3/c1-23-15-6-3-11(9-16(15)24-2)7-8-20-17(22)21-14-5-4-12(18)10-13(14)19/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21,22)
InChIKeyUNTZBRJFJKUVAM-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.35
Rot. Bonds6

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

1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea (PubChem CID 883790) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
PubChem CID883790
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc(F)cc2F)cc1OC
InChIInChI=1S/C17H18F2N2O3/c1-23-15-6-3-11(9-16(15)24-2)7-8-20-17(22)21-14-5-4-12(18)10-13(14)19/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21,22)
InChIKeyUNTZBRJFJKUVAM-UHFFFAOYSA-N
XLogP3.35
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
CID 108949762
N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109027869
1-(2,5-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891763
N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110426742
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 108891607
1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 46647390
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970730
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113000840
1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 51579250
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea
CID 52593578
1-(2,4-difluorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]thiourea
CID 17297638

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea (CID 883790) is 1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)Nc2ccc(F)cc2F)cc1OC.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The InChIKey is UNTZBRJFJKUVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-23-15-6-3-11(9-16(15)24-2)7-8-20-17(22)21-14-5-4-12(18)10-13(14)19/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea has a molecular weight of 336.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 883790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).