1-(4-fluorophenyl)-3-(4-propanoylphenyl)urea

C16H15FN2O2 — CID 11507505

IUPAC1-(4-fluorophenyl)-3-(4-propanoylphenyl)urea
SMILESCCC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN2O2/c1-2-15(20)11-3-7-13(8-4-11)18-16(21)19-14-9-5-12(17)6-10-14/h3-10H,2H2,1H3,(H2,18,19,21)
InChIKeyIVXCZNOTNADILF-UHFFFAOYSA-N
MW286.31 g/mol
LogP4.06
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(4-propanoylphenyl)urea

1-(4-fluorophenyl)-3-(4-propanoylphenyl)urea (PubChem CID 11507505) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-propanoylphenyl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-propanoylphenyl)urea
PubChem CID11507505
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name1-(4-fluorophenyl)-3-(4-propanoylphenyl)urea
SMILESCCC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN2O2/c1-2-15(20)11-3-7-13(8-4-11)18-16(21)19-14-9-5-12(17)6-10-14/h3-10H,2H2,1H3,(H2,18,19,21)
InChIKeyIVXCZNOTNADILF-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-3-(4-propanoylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tacedinaline
CID 2746
4'-Methylbenzanilide
CID 68497
Shellfish, unspecified
CID 584435
ZD-6169
CID 177852
N-(4-Acetylphenyl)-2,2,2-trifluoroacetamide
CID 32487
N-[4-(1-oxopropyl)phenyl]acetamide
CID 85655
Brd3308
CID 72734382
N-(4-Acetylphenyl)-N'-(3-chlorophenyl)urea
CID 734393
N-(p-acetylphenyl)acetamide
CID 75937
4,4'-Diaminobenzanilide
CID 69917
1-Benzoyl-3-phenylurea
CID 74566
4'-Benzoylbenzanilide
CID 88168

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-propanoylphenyl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-propanoylphenyl)urea (CID 11507505) is 1-(4-fluorophenyl)-3-(4-propanoylphenyl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-propanoylphenyl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-propanoylphenyl)urea is CCC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-propanoylphenyl)urea?
The InChIKey is IVXCZNOTNADILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-2-15(20)11-3-7-13(8-4-11)18-16(21)19-14-9-5-12(17)6-10-14/h3-10H,2H2,1H3,(H2,18,19,21).
What are the key properties of 1-(4-fluorophenyl)-3-(4-propanoylphenyl)urea?
1-(4-fluorophenyl)-3-(4-propanoylphenyl)urea has a molecular weight of 286.31 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-propanoylphenyl)urea is sourced from PubChem (CID 11507505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).