2-fluoro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzamide

C27H29FN2O3 — CID 58804654

IUPAC2-fluoro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzamide
SMILESNC(=O)c1cc(NC(=O)CCc2ccc(OCCCCCc3ccccc3)cc2)ccc1F
InChIInChI=1S/C27H29FN2O3/c28-25-16-13-22(19-24(25)27(29)32)30-26(31)17-12-21-10-14-23(15-11-21)33-18-6-2-5-9-20-7-3-1-4-8-20/h1,3-4,7-8,10-11,13-16,19H,2,5-6,9,12,17-18H2,(H2,29,32)(H,30,31)
InChIKeyRCMPHUSIJUKZCJ-UHFFFAOYSA-N
MW448.54 g/mol
LogP5.29
Rot. Bonds12

About 2-fluoro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzamide

2-fluoro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzamide (PubChem CID 58804654) has the molecular formula C27H29FN2O3 and a molecular weight of 448.54 g/mol. Its IUPAC name is 2-fluoro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzamide
PubChem CID58804654
Molecular FormulaC27H29FN2O3
Molecular Weight448.54 g/mol
Exact Mass448.22
IUPAC Name2-fluoro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzamide
SMILESNC(=O)c1cc(NC(=O)CCc2ccc(OCCCCCc3ccccc3)cc2)ccc1F
InChIInChI=1S/C27H29FN2O3/c28-25-16-13-22(19-24(25)27(29)32)30-26(31)17-12-21-10-14-23(15-11-21)33-18-6-2-5-9-20-7-3-1-4-8-20/h1,3-4,7-8,10-11,13-16,19H,2,5-6,9,12,17-18H2,(H2,29,32)(H,30,31)
InChIKeyRCMPHUSIJUKZCJ-UHFFFAOYSA-N
XLogP5.29
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 55.29
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

2-(dimethylamino)-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid
CID 10205705
methyl 2-[2-methoxy-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]phenyl]acetate
CID 71043442
3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257
N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839600
5-(4-aminobutanoylamino)-2-fluorobenzamide
CID 43706573
N-(3,4-dimethylphenyl)-3-[4-(5-pyridin-4-ylpentoxy)phenyl]propanamide
CID 142185277
2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130169
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
4-(5-phenylpentoxy)benzamide
CID 142267536
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839712
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzamide?
The IUPAC name of 2-fluoro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzamide (CID 58804654) is 2-fluoro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzamide.
What is the SMILES notation for 2-fluoro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzamide?
The canonical SMILES for 2-fluoro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzamide is NC(=O)c1cc(NC(=O)CCc2ccc(OCCCCCc3ccccc3)cc2)ccc1F.
What is the InChIKey of 2-fluoro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzamide?
The InChIKey is RCMPHUSIJUKZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O3/c28-25-16-13-22(19-24(25)27(29)32)30-26(31)17-12-21-10-14-23(15-11-21)33-18-6-2-5-9-20-7-3-1-4-8-20/h1,3-4,7-8,10-11,13-16,19H,2,5-6,9,12,17-18H2,(H2,29,32)(H,30,31).
What are the key properties of 2-fluoro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzamide?
2-fluoro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzamide has a molecular weight of 448.54 g/mol, XLogP of 5.29, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzamide is sourced from PubChem (CID 58804654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).