1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea

C16H17FN2O2 — CID 52581023

IUPAC1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C16H17FN2O2/c1-21-15-7-3-5-13(9-15)11-19-16(20)18-10-12-4-2-6-14(17)8-12/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChIKeyVEQUILXVLLRLBZ-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.83
Rot. Bonds5

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

1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 52581023) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
PubChem CID52581023
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C16H17FN2O2/c1-21-15-7-3-5-13(9-15)11-19-16(20)18-10-12-4-2-6-14(17)8-12/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChIKeyVEQUILXVLLRLBZ-UHFFFAOYSA-N
XLogP2.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoroethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 59778690
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
1-[(3-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898465
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111250544
1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108867745
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108908242
1-(3,3-dimethylbutyl)-3-[(3-methoxyphenyl)methyl]urea
CID 38270007
1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 51290894
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251
2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid
CID 16780933
1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 16608876

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea (CID 52581023) is 1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea is COc1cccc(CNC(=O)NCc2cccc(F)c2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is VEQUILXVLLRLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-21-15-7-3-5-13(9-15)11-19-16(20)18-10-12-4-2-6-14(17)8-12/h2-9H,10-11H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea?
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 288.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 52581023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).