1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea

C17H18F2N2O4 — CID 51579250

IUPAC1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
SMILESCOc1cc(CNC(=O)Nc2ccc(F)cc2F)cc(OC)c1OC
InChIInChI=1S/C17H18F2N2O4/c1-23-14-6-10(7-15(24-2)16(14)25-3)9-20-17(22)21-13-5-4-11(18)8-12(13)19/h4-8H,9H2,1-3H3,(H2,20,21,22)
InChIKeyHKRCFFAMJQALFF-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.31
Rot. Bonds6

About 1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea

1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea (PubChem CID 51579250) has the molecular formula C17H18F2N2O4 and a molecular weight of 352.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
PubChem CID51579250
Molecular FormulaC17H18F2N2O4
Molecular Weight352.34 g/mol
Exact Mass352.12
IUPAC Name1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
SMILESCOc1cc(CNC(=O)Nc2ccc(F)cc2F)cc(OC)c1OC
InChIInChI=1S/C17H18F2N2O4/c1-23-14-6-10(7-15(24-2)16(14)25-3)9-20-17(22)21-13-5-4-11(18)8-12(13)19/h4-8H,9H2,1-3H3,(H2,20,21,22)
InChIKeyHKRCFFAMJQALFF-UHFFFAOYSA-N
XLogP3.31
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 46859657
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 55871035
1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2433645
1-[(4-bromophenyl)methyl]-3-(2,4-difluorophenyl)urea
CID 60969569
1-(2,4-difluorophenyl)-3-[[4-(2-methoxyethylamino)phenyl]methyl]urea
CID 51100451
1-N'-(2,4-difluorophenyl)-1-N-[(3,4-dimethoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108978471
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465
1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 3774763
1-(2,4-difluorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]thiourea
CID 17297638
1-[2-(2-fluorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 55482057
1-(4-iodophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 3547094

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea (CID 51579250) is 1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea is COc1cc(CNC(=O)Nc2ccc(F)cc2F)cc(OC)c1OC.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea?
The InChIKey is HKRCFFAMJQALFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4/c1-23-14-6-10(7-15(24-2)16(14)25-3)9-20-17(22)21-13-5-4-11(18)8-12(13)19/h4-8H,9H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea?
1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea has a molecular weight of 352.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea is sourced from PubChem (CID 51579250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).