3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea

C18H20ClFN2O3 — CID 87008091

IUPAC3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1ccc(CN(C)C(=O)NCc2cc(Cl)ccc2OC)cc1F
InChIInChI=1S/C18H20ClFN2O3/c1-22(11-12-4-6-17(25-3)15(20)8-12)18(23)21-10-13-9-14(19)5-7-16(13)24-2/h4-9H,10-11H2,1-3H3,(H,21,23)
InChIKeyZVCIBTIOUHZZDY-UHFFFAOYSA-N
MW366.82 g/mol
LogP3.84
Rot. Bonds6

About 3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea

3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea (PubChem CID 87008091) has the molecular formula C18H20ClFN2O3 and a molecular weight of 366.82 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea
PubChem CID87008091
Molecular FormulaC18H20ClFN2O3
Molecular Weight366.82 g/mol
Exact Mass366.11
IUPAC Name3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1ccc(CN(C)C(=O)NCc2cc(Cl)ccc2OC)cc1F
InChIInChI=1S/C18H20ClFN2O3/c1-22(11-12-4-6-17(25-3)15(20)8-12)18(23)21-10-13-9-14(19)5-7-16(13)24-2/h4-9H,10-11H2,1-3H3,(H,21,23)
InChIKeyZVCIBTIOUHZZDY-UHFFFAOYSA-N
XLogP3.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.82
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33421791
1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 94054624
1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-3-(4-methylpentyl)urea
CID 134006475
2,4-dichloro-N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 31327338
N-[(2,4-dichlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9045958
1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,5-difluorophenyl)-1-methylurea
CID 112825322
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9042461
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-oxobutanamide
CID 54867216
N-(5-chloro-2-fluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432683
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea (CID 87008091) is 3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea is COc1ccc(CN(C)C(=O)NCc2cc(Cl)ccc2OC)cc1F.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea?
The InChIKey is ZVCIBTIOUHZZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3/c1-22(11-12-4-6-17(25-3)15(20)8-12)18(23)21-10-13-9-14(19)5-7-16(13)24-2/h4-9H,10-11H2,1-3H3,(H,21,23).
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea?
3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea has a molecular weight of 366.82 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea is sourced from PubChem (CID 87008091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).