1-[(4-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea

C16H17FN2O2 — CID 6469782

IUPAC1-[(4-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c1-11-3-8-15(21-2)14(9-11)19-16(20)18-10-12-4-6-13(17)7-5-12/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyMQLTVJBYFWVXRZ-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.46
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea

1-[(4-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 6469782) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
PubChem CID6469782
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c1-11-3-8-15(21-2)14(9-11)19-16(20)18-10-12-4-6-13(17)7-5-12/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyMQLTVJBYFWVXRZ-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea (CID 6469782) is 1-[(4-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is MQLTVJBYFWVXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11-3-8-15(21-2)14(9-11)19-16(20)18-10-12-4-6-13(17)7-5-12/h3-9H,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea?
1-[(4-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 288.32 g/mol, XLogP of 3.46, 4 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-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 6469782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).