(4-benzamidophenyl) 3-(4-fluorophenyl)butanoate

C23H20FNO3 — CID 55923570

IUPAC(4-benzamidophenyl) 3-(4-fluorophenyl)butanoate
SMILESCC(CC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H20FNO3/c1-16(17-7-9-19(24)10-8-17)15-22(26)28-21-13-11-20(12-14-21)25-23(27)18-5-3-2-4-6-18/h2-14,16H,15H2,1H3,(H,25,27)
InChIKeyJILDNEHNVVSRLL-UHFFFAOYSA-N
MW377.42 g/mol
LogP5.18
Rot. Bonds6

About (4-benzamidophenyl) 3-(4-fluorophenyl)butanoate

(4-benzamidophenyl) 3-(4-fluorophenyl)butanoate (PubChem CID 55923570) has the molecular formula C23H20FNO3 and a molecular weight of 377.42 g/mol. Its IUPAC name is (4-benzamidophenyl) 3-(4-fluorophenyl)butanoate.

Molecular Properties

Compound Name(4-benzamidophenyl) 3-(4-fluorophenyl)butanoate
PubChem CID55923570
Molecular FormulaC23H20FNO3
Molecular Weight377.42 g/mol
Exact Mass377.14
IUPAC Name(4-benzamidophenyl) 3-(4-fluorophenyl)butanoate
SMILESCC(CC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H20FNO3/c1-16(17-7-9-19(24)10-8-17)15-22(26)28-21-13-11-20(12-14-21)25-23(27)18-5-3-2-4-6-18/h2-14,16H,15H2,1H3,(H,25,27)
InChIKeyJILDNEHNVVSRLL-UHFFFAOYSA-N
XLogP5.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.42
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-benzamidophenyl) 3-(4-fluorophenyl)sulfanylpropanoate
CID 35611048
N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide
CID 55919521
(4-acetamidophenyl) 3-[4-(trifluoromethyl)phenyl]butanoate
CID 60584071
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
(4-benzamidophenyl) 2-(4-acetyl-2-fluorophenyl)sulfanylacetate
CID 35598335
(4-benzamidophenyl) acetate
CID 34734144
[4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate
CID 19221621
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7266159
(4-benzamidophenyl) 3-(3-fluorophenyl)propanoate
CID 34465464
3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057469
(2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid
CID 733394

Frequently Asked Questions

What is the IUPAC name of (4-benzamidophenyl) 3-(4-fluorophenyl)butanoate?
The IUPAC name of (4-benzamidophenyl) 3-(4-fluorophenyl)butanoate (CID 55923570) is (4-benzamidophenyl) 3-(4-fluorophenyl)butanoate.
What is the SMILES notation for (4-benzamidophenyl) 3-(4-fluorophenyl)butanoate?
The canonical SMILES for (4-benzamidophenyl) 3-(4-fluorophenyl)butanoate is CC(CC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1)c1ccc(F)cc1.
What is the InChIKey of (4-benzamidophenyl) 3-(4-fluorophenyl)butanoate?
The InChIKey is JILDNEHNVVSRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO3/c1-16(17-7-9-19(24)10-8-17)15-22(26)28-21-13-11-20(12-14-21)25-23(27)18-5-3-2-4-6-18/h2-14,16H,15H2,1H3,(H,25,27).
What are the key properties of (4-benzamidophenyl) 3-(4-fluorophenyl)butanoate?
(4-benzamidophenyl) 3-(4-fluorophenyl)butanoate has a molecular weight of 377.42 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzamidophenyl) 3-(4-fluorophenyl)butanoate is sourced from PubChem (CID 55923570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).