N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide

C25H26FN3O3 — CID 42704529

IUPACN-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCCN(C(=O)Nc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H26FN3O3/c1-32-23-14-8-19(9-15-23)18-24(30)27-16-5-17-29(22-12-10-20(26)11-13-22)25(31)28-21-6-3-2-4-7-21/h2-4,6-15H,5,16-18H2,1H3,(H,27,30)(H,28,31)
InChIKeyASIIICZXLVXJKI-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.62
Rot. Bonds9

About N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide

N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 42704529) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide
PubChem CID42704529
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC NameN-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCCN(C(=O)Nc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H26FN3O3/c1-32-23-14-8-19(9-15-23)18-24(30)27-16-5-17-29(22-12-10-20(26)11-13-22)25(31)28-21-6-3-2-4-7-21/h2-4,6-15H,5,16-18H2,1H3,(H,27,30)(H,28,31)
InChIKeyASIIICZXLVXJKI-UHFFFAOYSA-N
XLogP4.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide
CID 42704534
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113060664
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide
CID 42726244
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide
CID 42725862
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
3-(4-methoxyphenyl)-1-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-1-(4-phenoxyphenyl)urea
CID 3919297
3-fluoro-N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42707208
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide
CID 42705463
N-[3-[N-[(4-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]cyclohexanecarboxamide
CID 42707093
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
CID 42707241
3-(3-chlorophenyl)-1-[3-[(3-chlorophenyl)carbamoylamino]propyl]-1-(4-methoxyphenyl)urea
CID 3618741
1-[3-[(3-methoxyphenyl)carbamoylamino]propyl]-3-(4-methylphenyl)-1-phenylurea
CID 42702260

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide (CID 42704529) is N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCCCN(C(=O)Nc2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is ASIIICZXLVXJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-32-23-14-8-19(9-15-23)18-24(30)27-16-5-17-29(22-12-10-20(26)11-13-22)25(31)28-21-6-3-2-4-7-21/h2-4,6-15H,5,16-18H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide?
N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 435.50 g/mol, XLogP of 4.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 42704529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).