2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide

C22H14F4N2O4 — CID 17110623

IUPAC2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)c4c(F)c(F)c(OC)c(F)c4F)cc3)nc2c1
InChIInChI=1S/C22H14F4N2O4/c1-30-12-7-8-14-13(9-12)28-22(32-14)10-3-5-11(6-4-10)27-21(29)15-16(23)18(25)20(31-2)19(26)17(15)24/h3-9H,1-2H3,(H,27,29)
InChIKeySHVGXIHHKYKWKV-UHFFFAOYSA-N
MW446.36 g/mol
LogP5.32
Rot. Bonds5

About 2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide

2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 17110623) has the molecular formula C22H14F4N2O4 and a molecular weight of 446.36 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID17110623
Molecular FormulaC22H14F4N2O4
Molecular Weight446.36 g/mol
Exact Mass446.09
IUPAC Name2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)c4c(F)c(F)c(OC)c(F)c4F)cc3)nc2c1
InChIInChI=1S/C22H14F4N2O4/c1-30-12-7-8-14-13(9-12)28-22(32-14)10-3-5-11(6-4-10)27-21(29)15-16(23)18(25)20(31-2)19(26)17(15)24/h3-9H,1-2H3,(H,27,29)
InChIKeySHVGXIHHKYKWKV-UHFFFAOYSA-N
XLogP5.32
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.36
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4135318
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 17110595
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384
3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5234955
2,3,5,6-tetrafluoro-4-methoxy-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]benzamide
CID 17315605
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 5017704
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide
CID 3969096
4-bromo-3-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 17116899
3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4672892
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1146260
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide
CID 25187792
N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 17110986

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of 2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 17110623) is 2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide is COc1ccc2oc(-c3ccc(NC(=O)c4c(F)c(F)c(OC)c(F)c4F)cc3)nc2c1.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is SHVGXIHHKYKWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N2O4/c1-30-12-7-8-14-13(9-12)28-22(32-14)10-3-5-11(6-4-10)27-21(29)15-16(23)18(25)20(31-2)19(26)17(15)24/h3-9H,1-2H3,(H,27,29).
What are the key properties of 2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 446.36 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 17110623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).