3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea

C19H21F3N2O3 — CID 55484556

IUPAC3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea
SMILESCCN(Cc1cccc(F)c1)C(=O)NCc1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C19H21F3N2O3/c1-3-24(12-14-5-4-6-15(20)9-14)19(25)23-11-13-7-8-16(27-18(21)22)17(10-13)26-2/h4-10,18H,3,11-12H2,1-2H3,(H,23,25)
InChIKeyAKRJCKFSGKBSNU-UHFFFAOYSA-N
MW382.38 g/mol
LogP4.17
Rot. Bonds8

About 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea

3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea (PubChem CID 55484556) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea
PubChem CID55484556
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea
SMILESCCN(Cc1cccc(F)c1)C(=O)NCc1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C19H21F3N2O3/c1-3-24(12-14-5-4-6-15(20)9-14)19(25)23-11-13-7-8-16(27-18(21)22)17(10-13)26-2/h4-10,18H,3,11-12H2,1-2H3,(H,23,25)
InChIKeyAKRJCKFSGKBSNU-UHFFFAOYSA-N
XLogP4.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea with MolForge

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Related Compounds

3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea
CID 60605391
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8794511
1-[(3-chlorophenyl)methyl]-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea
CID 38326031
methyl 5-[[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]-2-methoxybenzoate
CID 86999434
1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 24528941
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 31424405
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoic acid
CID 60648152
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9104719
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-ethylphenoxy)acetamide
CID 9261479
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 47011435
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(methylsulfanylmethyl)benzamide
CID 9261943
1-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 38151425

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea?
The IUPAC name of 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea (CID 55484556) is 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea.
What is the SMILES notation for 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea?
The canonical SMILES for 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea is CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(OC(F)F)c(OC)c1.
What is the InChIKey of 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea?
The InChIKey is AKRJCKFSGKBSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-3-24(12-14-5-4-6-15(20)9-14)19(25)23-11-13-7-8-16(27-18(21)22)17(10-13)26-2/h4-10,18H,3,11-12H2,1-2H3,(H,23,25).
What are the key properties of 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea?
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea has a molecular weight of 382.38 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea is sourced from PubChem (CID 55484556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).