1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea

C16H17FN2O3 — CID 23938828

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea
SMILESCOc1cc(CNC(=O)Nc2ccccc2F)cc(OC)c1
InChIInChI=1S/C16H17FN2O3/c1-21-12-7-11(8-13(9-12)22-2)10-18-16(20)19-15-6-4-3-5-14(15)17/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyGSZXQGRIPUVSGP-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.16
Rot. Bonds5

About 1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea

1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea (PubChem CID 23938828) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea
PubChem CID23938828
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea
SMILESCOc1cc(CNC(=O)Nc2ccccc2F)cc(OC)c1
InChIInChI=1S/C16H17FN2O3/c1-21-12-7-11(8-13(9-12)22-2)10-18-16(20)19-15-6-4-3-5-14(15)17/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyGSZXQGRIPUVSGP-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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Related Compounds

1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea
CID 3367355
1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825
1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(3-fluoro-4-pyridinyl)urea
CID 91660536
1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 23762285
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea
CID 23819690
1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 47192993
1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868159
1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 17379696
N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide
CID 110672522
1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108896680
N-(3,5-dimethoxyphenyl)-2-(2-fluoroanilino)acetamide
CID 26417450

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea (CID 23938828) is 1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea is COc1cc(CNC(=O)Nc2ccccc2F)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea?
The InChIKey is GSZXQGRIPUVSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-21-12-7-11(8-13(9-12)22-2)10-18-16(20)19-15-6-4-3-5-14(15)17/h3-9H,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea?
1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)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-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 23938828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).