N-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]-2,2,3,3-tetrafluoropropanamide

C24H14Cl2F4N2O3 — CID 59691917

IUPACN-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]-2,2,3,3-tetrafluoropropanamide
SMILESNc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(NC(=O)C(F)(F)C(F)F)c3)ccc12
InChIInChI=1S/C24H14Cl2F4N2O3/c25-13-5-7-15(17(26)10-13)20(33)21-19(31)16-6-4-12(9-18(16)35-21)11-2-1-3-14(8-11)32-23(34)24(29,30)22(27)28/h1-10,22H,31H2,(H,32,34)
InChIKeyLULXBSDWNGWNTF-UHFFFAOYSA-N
MW525.29 g/mol
LogP7.06
Rot. Bonds6

About N-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]-2,2,3,3-tetrafluoropropanamide

N-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]-2,2,3,3-tetrafluoropropanamide (PubChem CID 59691917) has the molecular formula C24H14Cl2F4N2O3 and a molecular weight of 525.29 g/mol. Its IUPAC name is N-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]-2,2,3,3-tetrafluoropropanamide
PubChem CID59691917
Molecular FormulaC24H14Cl2F4N2O3
Molecular Weight525.29 g/mol
Exact Mass524.03
IUPAC NameN-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]-2,2,3,3-tetrafluoropropanamide
SMILESNc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(NC(=O)C(F)(F)C(F)F)c3)ccc12
InChIInChI=1S/C24H14Cl2F4N2O3/c25-13-5-7-15(17(26)10-13)20(33)21-19(31)16-6-4-12(9-18(16)35-21)11-2-1-3-14(8-11)32-23(34)24(29,30)22(27)28/h1-10,22H,31H2,(H,32,34)
InChIKeyLULXBSDWNGWNTF-UHFFFAOYSA-N
XLogP7.06
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.29
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]-2,2,3,3-tetrafluoropropanamide (CID 59691917) is N-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]-2,2,3,3-tetrafluoropropanamide is Nc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(NC(=O)C(F)(F)C(F)F)c3)ccc12.
What is the InChIKey of N-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]-2,2,3,3-tetrafluoropropanamide?
The InChIKey is LULXBSDWNGWNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2F4N2O3/c25-13-5-7-15(17(26)10-13)20(33)21-19(31)16-6-4-12(9-18(16)35-21)11-2-1-3-14(8-11)32-23(34)24(29,30)22(27)28/h1-10,22H,31H2,(H,32,34).
What are the key properties of N-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]-2,2,3,3-tetrafluoropropanamide?
N-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]-2,2,3,3-tetrafluoropropanamide has a molecular weight of 525.29 g/mol, XLogP of 7.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 59691917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).