1-(3,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]urea

C16H17FN2O3 — CID 2207181

IUPAC1-(3,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2ccccc2F)cc1OC
InChIInChI=1S/C16H17FN2O3/c1-21-14-8-7-12(9-15(14)22-2)19-16(20)18-10-11-5-3-4-6-13(11)17/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyJSZFKAKRSCEPTQ-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.16
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]urea

1-(3,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]urea (PubChem CID 2207181) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]urea
PubChem CID2207181
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2ccccc2F)cc1OC
InChIInChI=1S/C16H17FN2O3/c1-21-14-8-7-12(9-15(14)22-2)19-16(20)18-10-11-5-3-4-6-13(11)17/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyJSZFKAKRSCEPTQ-UHFFFAOYSA-N
XLogP3.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]urea (CID 2207181) is 1-(3,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]urea is COc1ccc(NC(=O)NCc2ccccc2F)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]urea?
The InChIKey is JSZFKAKRSCEPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-21-14-8-7-12(9-15(14)22-2)19-16(20)18-10-11-5-3-4-6-13(11)17/h3-9H,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]urea?
1-(3,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]urea has a molecular weight of 304.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[(2-fluorophenyl)methyl]urea is sourced from PubChem (CID 2207181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).