1-(4-acetylphenyl)-3-[(4-fluorophenyl)methyl]urea

C16H15FN2O2 — CID 970517

IUPAC1-(4-acetylphenyl)-3-[(4-fluorophenyl)methyl]urea
SMILESCC(=O)c1ccc(NC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN2O2/c1-11(20)13-4-8-15(9-5-13)19-16(21)18-10-12-2-6-14(17)7-3-12/h2-9H,10H2,1H3,(H2,18,19,21)
InChIKeySMHAGXXXYVQKGF-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.35
Rot. Bonds4

About 1-(4-acetylphenyl)-3-[(4-fluorophenyl)methyl]urea

1-(4-acetylphenyl)-3-[(4-fluorophenyl)methyl]urea (PubChem CID 970517) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[(4-fluorophenyl)methyl]urea
PubChem CID970517
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name1-(4-acetylphenyl)-3-[(4-fluorophenyl)methyl]urea
SMILESCC(=O)c1ccc(NC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN2O2/c1-11(20)13-4-8-15(9-5-13)19-16(21)18-10-12-2-6-14(17)7-3-12/h2-9H,10H2,1H3,(H2,18,19,21)
InChIKeySMHAGXXXYVQKGF-UHFFFAOYSA-N
XLogP3.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[(4-fluorophenyl)methyl]urea (CID 970517) is 1-(4-acetylphenyl)-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[(4-fluorophenyl)methyl]urea is CC(=O)c1ccc(NC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is SMHAGXXXYVQKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-11(20)13-4-8-15(9-5-13)19-16(21)18-10-12-2-6-14(17)7-3-12/h2-9H,10H2,1H3,(H2,18,19,21).
What are the key properties of 1-(4-acetylphenyl)-3-[(4-fluorophenyl)methyl]urea?
1-(4-acetylphenyl)-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 286.31 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 970517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).