4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide

C25H26FN3O2 — CID 42704534

IUPAC4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide
SMILESCCc1ccc(C(=O)NCCCN(C(=O)Nc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H26FN3O2/c1-2-19-9-11-20(12-10-19)24(30)27-17-6-18-29(23-15-13-21(26)14-16-23)25(31)28-22-7-4-3-5-8-22/h3-5,7-16H,2,6,17-18H2,1H3,(H,27,30)(H,28,31)
InChIKeyKUKMINPVDXOJMV-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.25
Rot. Bonds8

About 4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide

4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide (PubChem CID 42704534) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide
PubChem CID42704534
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide
SMILESCCc1ccc(C(=O)NCCCN(C(=O)Nc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H26FN3O2/c1-2-19-9-11-20(12-10-19)24(30)27-17-6-18-29(23-15-13-21(26)14-16-23)25(31)28-22-7-4-3-5-8-22/h3-5,7-16H,2,6,17-18H2,1H3,(H,27,30)(H,28,31)
InChIKeyKUKMINPVDXOJMV-UHFFFAOYSA-N
XLogP5.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide 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

N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide
CID 42725862
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide
CID 42705451
N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide
CID 42704529
4-ethyl-N-[3-[N-[(4-nitrophenyl)carbamoyl]-4-phenoxyanilino]propyl]benzamide
CID 42702782
N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42705527
4-butyl-N-[3-[N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide
CID 42702208
4-butyl-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]benzamide
CID 42700558
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide
CID 42726244
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide
CID 42726048
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide
CID 42705463
1-[3-(cyclohexylcarbamoylamino)propyl]-1-(4-fluorophenyl)-3-phenylurea
CID 42704537
2-chloro-N-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]benzamide
CID 42702736

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide?
The IUPAC name of 4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide (CID 42704534) is 4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide?
The canonical SMILES for 4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide is CCc1ccc(C(=O)NCCCN(C(=O)Nc2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide?
The InChIKey is KUKMINPVDXOJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-2-19-9-11-20(12-10-19)24(30)27-17-6-18-29(23-15-13-21(26)14-16-23)25(31)28-22-7-4-3-5-8-22/h3-5,7-16H,2,6,17-18H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide?
4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide has a molecular weight of 419.50 g/mol, XLogP of 5.25, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide is sourced from PubChem (CID 42704534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).