N-[(3Z)-3-butylidene-1-oxo-2-benzofuran-5-yl]-4-fluorobenzamide

C19H16FNO3 — CID 172554453

IUPACN-[(3Z)-3-butylidene-1-oxo-2-benzofuran-5-yl]-4-fluorobenzamide
SMILESCCC/C=C1\OC(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C19H16FNO3/c1-2-3-4-17-16-11-14(9-10-15(16)19(23)24-17)21-18(22)12-5-7-13(20)8-6-12/h4-11H,2-3H2,1H3,(H,21,22)/b17-4-
InChIKeyJBKDMNCPHNEPOB-INGKJJEOSA-N
MW325.34 g/mol
LogP4.39
Rot. Bonds4

About N-[(3Z)-3-butylidene-1-oxo-2-benzofuran-5-yl]-4-fluorobenzamide

N-[(3Z)-3-butylidene-1-oxo-2-benzofuran-5-yl]-4-fluorobenzamide (PubChem CID 172554453) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[(3Z)-3-butylidene-1-oxo-2-benzofuran-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(3Z)-3-butylidene-1-oxo-2-benzofuran-5-yl]-4-fluorobenzamide
PubChem CID172554453
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC NameN-[(3Z)-3-butylidene-1-oxo-2-benzofuran-5-yl]-4-fluorobenzamide
SMILESCCC/C=C1\OC(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C19H16FNO3/c1-2-3-4-17-16-11-14(9-10-15(16)19(23)24-17)21-18(22)12-5-7-13(20)8-6-12/h4-11H,2-3H2,1H3,(H,21,22)/b17-4-
InChIKeyJBKDMNCPHNEPOB-INGKJJEOSA-N
XLogP4.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-butylidene-1-oxo-2-benzofuran-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[(3Z)-3-butylidene-1-oxo-2-benzofuran-5-yl]-4-fluorobenzamide (CID 172554453) is N-[(3Z)-3-butylidene-1-oxo-2-benzofuran-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[(3Z)-3-butylidene-1-oxo-2-benzofuran-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[(3Z)-3-butylidene-1-oxo-2-benzofuran-5-yl]-4-fluorobenzamide is CCC/C=C1\OC(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc21.
What is the InChIKey of N-[(3Z)-3-butylidene-1-oxo-2-benzofuran-5-yl]-4-fluorobenzamide?
The InChIKey is JBKDMNCPHNEPOB-INGKJJEOSA-N. The full InChI is InChI=1S/C19H16FNO3/c1-2-3-4-17-16-11-14(9-10-15(16)19(23)24-17)21-18(22)12-5-7-13(20)8-6-12/h4-11H,2-3H2,1H3,(H,21,22)/b17-4-.
What are the key properties of N-[(3Z)-3-butylidene-1-oxo-2-benzofuran-5-yl]-4-fluorobenzamide?
N-[(3Z)-3-butylidene-1-oxo-2-benzofuran-5-yl]-4-fluorobenzamide has a molecular weight of 325.34 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-butylidene-1-oxo-2-benzofuran-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 172554453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).