4-(1,2,2,3,3,3-hexafluoropropoxy)-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide

C18H11F6NO4 — CID 5305756

IUPAC4-(1,2,2,3,3,3-hexafluoropropoxy)-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)COC2=O)c1ccc(OC(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C18H11F6NO4/c19-16(17(20,21)18(22,23)24)29-12-4-1-9(2-5-12)14(26)25-11-3-6-13-10(7-11)8-28-15(13)27/h1-7,16H,8H2,(H,25,26)
InChIKeyMQYXIDMEMYDZGW-UHFFFAOYSA-N
MW419.28 g/mol
LogP4.48
Rot. Bonds5

About 4-(1,2,2,3,3,3-hexafluoropropoxy)-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide

4-(1,2,2,3,3,3-hexafluoropropoxy)-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide (PubChem CID 5305756) has the molecular formula C18H11F6NO4 and a molecular weight of 419.28 g/mol. Its IUPAC name is 4-(1,2,2,3,3,3-hexafluoropropoxy)-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide.

Molecular Properties

Compound Name4-(1,2,2,3,3,3-hexafluoropropoxy)-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide
PubChem CID5305756
Molecular FormulaC18H11F6NO4
Molecular Weight419.28 g/mol
Exact Mass419.06
IUPAC Name4-(1,2,2,3,3,3-hexafluoropropoxy)-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)COC2=O)c1ccc(OC(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C18H11F6NO4/c19-16(17(20,21)18(22,23)24)29-12-4-1-9(2-5-12)14(26)25-11-3-6-13-10(7-11)8-28-15(13)27/h1-7,16H,8H2,(H,25,26)
InChIKeyMQYXIDMEMYDZGW-UHFFFAOYSA-N
XLogP4.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide
CID 571616
4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 2162099
4-(difluoromethoxy)-N-naphthalen-2-ylbenzamide
CID 2666065
N-tert-butyl-1-oxo-3H-2-benzofuran-5-carboxamide
CID 11148992
4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide
CID 26027108
N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7669273
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
N-[4-oxo-2-(trifluoromethyl)chromen-6-yl]-4-(1-phenylethoxy)benzamide
CID 167766536
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide
CID 110493154
N-[4-[4-[(1,3-dioxo-2-benzofuran-5-carbonyl)amino]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide
CID 72713554
(E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide
CID 713159
(Z)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide
CID 22299082

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,2,3,3,3-hexafluoropropoxy)-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide?
The IUPAC name of 4-(1,2,2,3,3,3-hexafluoropropoxy)-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide (CID 5305756) is 4-(1,2,2,3,3,3-hexafluoropropoxy)-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide.
What is the SMILES notation for 4-(1,2,2,3,3,3-hexafluoropropoxy)-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide?
The canonical SMILES for 4-(1,2,2,3,3,3-hexafluoropropoxy)-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide is O=C(Nc1ccc2c(c1)COC2=O)c1ccc(OC(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 4-(1,2,2,3,3,3-hexafluoropropoxy)-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide?
The InChIKey is MQYXIDMEMYDZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6NO4/c19-16(17(20,21)18(22,23)24)29-12-4-1-9(2-5-12)14(26)25-11-3-6-13-10(7-11)8-28-15(13)27/h1-7,16H,8H2,(H,25,26).
What are the key properties of 4-(1,2,2,3,3,3-hexafluoropropoxy)-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide?
4-(1,2,2,3,3,3-hexafluoropropoxy)-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide has a molecular weight of 419.28 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,2,3,3,3-hexafluoropropoxy)-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide is sourced from PubChem (CID 5305756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).