(4-benzamidophenyl) 3-(3-fluorophenyl)propanoate

C22H18FNO3 — CID 34465464

IUPAC(4-benzamidophenyl) 3-(3-fluorophenyl)propanoate
SMILESO=C(CCc1cccc(F)c1)Oc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H18FNO3/c23-18-8-4-5-16(15-18)9-14-21(25)27-20-12-10-19(11-13-20)24-22(26)17-6-2-1-3-7-17/h1-8,10-13,15H,9,14H2,(H,24,26)
InChIKeyRXDGHGMFEHTATL-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.62
Rot. Bonds6

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

(4-benzamidophenyl) 3-(3-fluorophenyl)propanoate (PubChem CID 34465464) has the molecular formula C22H18FNO3 and a molecular weight of 363.39 g/mol. Its IUPAC name is (4-benzamidophenyl) 3-(3-fluorophenyl)propanoate.

Molecular Properties

Compound Name(4-benzamidophenyl) 3-(3-fluorophenyl)propanoate
PubChem CID34465464
Molecular FormulaC22H18FNO3
Molecular Weight363.39 g/mol
Exact Mass363.13
IUPAC Name(4-benzamidophenyl) 3-(3-fluorophenyl)propanoate
SMILESO=C(CCc1cccc(F)c1)Oc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H18FNO3/c23-18-8-4-5-16(15-18)9-14-21(25)27-20-12-10-19(11-13-20)24-22(26)17-6-2-1-3-7-17/h1-8,10-13,15H,9,14H2,(H,24,26)
InChIKeyRXDGHGMFEHTATL-UHFFFAOYSA-N
XLogP4.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.62
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

[3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
CID 108927732
(4-benzamidophenyl) 3-(4-fluorophenyl)sulfanylpropanoate
CID 35611048
(3-carbamoylphenyl) 3-(3-fluorophenyl)propanoate
CID 87014056
N'-[3-(3-fluorophenyl)propanoyl]benzohydrazide
CID 25326926
[4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate
CID 19221621
(4-benzamidophenyl) 3-(4-fluorophenyl)butanoate
CID 55923570
ethyl [4-[[2-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] carbonate
CID 108931072
N-[4-(3-fluoroanilino)phenyl]benzamide
CID 112988934
[4-(thiophene-2-carbonylamino)phenyl] 3-(4-fluorophenyl)propanoate
CID 35624176
phenyl 2-(3-fluorophenyl)acetate
CID 121272908
(4-benzamidophenyl) benzoate
CID 569583
[5-[4-[(4-benzamidobenzoyl)amino]phenoxy]-5-oxopentyl]-triphenylphosphanium
CID 88754434

Frequently Asked Questions

What is the IUPAC name of (4-benzamidophenyl) 3-(3-fluorophenyl)propanoate?
The IUPAC name of (4-benzamidophenyl) 3-(3-fluorophenyl)propanoate (CID 34465464) is (4-benzamidophenyl) 3-(3-fluorophenyl)propanoate.
What is the SMILES notation for (4-benzamidophenyl) 3-(3-fluorophenyl)propanoate?
The canonical SMILES for (4-benzamidophenyl) 3-(3-fluorophenyl)propanoate is O=C(CCc1cccc(F)c1)Oc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of (4-benzamidophenyl) 3-(3-fluorophenyl)propanoate?
The InChIKey is RXDGHGMFEHTATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO3/c23-18-8-4-5-16(15-18)9-14-21(25)27-20-12-10-19(11-13-20)24-22(26)17-6-2-1-3-7-17/h1-8,10-13,15H,9,14H2,(H,24,26).
What are the key properties of (4-benzamidophenyl) 3-(3-fluorophenyl)propanoate?
(4-benzamidophenyl) 3-(3-fluorophenyl)propanoate has a molecular weight of 363.39 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzamidophenyl) 3-(3-fluorophenyl)propanoate is sourced from PubChem (CID 34465464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).