3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea

C21H22F2N2O4 — CID 78874537

IUPAC3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea
SMILESCCc1oc2ccccc2c1CN(C)C(=O)Nc1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C21H22F2N2O4/c1-4-16-15(14-7-5-6-8-17(14)28-16)12-25(2)21(26)24-13-9-10-18(27-3)19(11-13)29-20(22)23/h5-11,20H,4,12H2,1-3H3,(H,24,26)
InChIKeyUNYCDVTWMNYMBJ-UHFFFAOYSA-N
MW404.41 g/mol
LogP5.27
Rot. Bonds7

About 3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea

3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea (PubChem CID 78874537) has the molecular formula C21H22F2N2O4 and a molecular weight of 404.41 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea
PubChem CID78874537
Molecular FormulaC21H22F2N2O4
Molecular Weight404.41 g/mol
Exact Mass404.15
IUPAC Name3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea
SMILESCCc1oc2ccccc2c1CN(C)C(=O)Nc1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C21H22F2N2O4/c1-4-16-15(14-7-5-6-8-17(14)28-16)12-25(2)21(26)24-13-9-10-18(27-3)19(11-13)29-20(22)23/h5-11,20H,4,12H2,1-3H3,(H,24,26)
InChIKeyUNYCDVTWMNYMBJ-UHFFFAOYSA-N
XLogP5.27
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.41
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dimethoxyphenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea
CID 86986903
3-[2-(difluoromethoxy)-5-methoxyphenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea
CID 112828988
3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 94819523
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 78893656
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78892865
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
CID 112825840
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxamide
CID 46530638
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119694657
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 46540426
2-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 43712827
3-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986919
7-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55539961

Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea?
The IUPAC name of 3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea (CID 78874537) is 3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea?
The canonical SMILES for 3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea is CCc1oc2ccccc2c1CN(C)C(=O)Nc1ccc(OC)c(OC(F)F)c1.
What is the InChIKey of 3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea?
The InChIKey is UNYCDVTWMNYMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O4/c1-4-16-15(14-7-5-6-8-17(14)28-16)12-25(2)21(26)24-13-9-10-18(27-3)19(11-13)29-20(22)23/h5-11,20H,4,12H2,1-3H3,(H,24,26).
What are the key properties of 3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea?
3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea has a molecular weight of 404.41 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea is sourced from PubChem (CID 78874537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).