1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea

C17H19FN2O2 — CID 108867745

IUPAC1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(CCNC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O2/c1-22-16-4-2-3-13(11-16)9-10-19-17(21)20-12-14-5-7-15(18)8-6-14/h2-8,11H,9-10,12H2,1H3,(H2,19,20,21)
InChIKeySIKSHBXVCICCBA-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.88
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea

1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea (PubChem CID 108867745) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea
PubChem CID108867745
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(CCNC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O2/c1-22-16-4-2-3-13(11-16)9-10-19-17(21)20-12-14-5-7-15(18)8-6-14/h2-8,11H,9-10,12H2,1H3,(H2,19,20,21)
InChIKeySIKSHBXVCICCBA-UHFFFAOYSA-N
XLogP2.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108946382
1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 51290894
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108891449
1-[2-(3-hydroxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60602886
1-[(3-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898465
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
1-(2-fluoroethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 59778690
1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60591409
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 86925143
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108901083
5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109281680
1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898570

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea (CID 108867745) is 1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea is COc1cccc(CCNC(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea?
The InChIKey is SIKSHBXVCICCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-22-16-4-2-3-13(11-16)9-10-19-17(21)20-12-14-5-7-15(18)8-6-14/h2-8,11H,9-10,12H2,1H3,(H2,19,20,21).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea?
1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea has a molecular weight of 302.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108867745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).