N-(2-aminophenyl)-5,6-bis(difluoromethoxy)-1-benzofuran-2-carboxamide

C17H12F4N2O4 — CID 52919931

IUPACN-(2-aminophenyl)-5,6-bis(difluoromethoxy)-1-benzofuran-2-carboxamide
SMILESNc1ccccc1NC(=O)c1cc2cc(OC(F)F)c(OC(F)F)cc2o1
InChIInChI=1S/C17H12F4N2O4/c18-16(19)26-12-5-8-6-14(25-11(8)7-13(12)27-17(20)21)15(24)23-10-4-2-1-3-9(10)22/h1-7,16-17H,22H2,(H,23,24)
InChIKeyFYTUTQFUGQUFLS-UHFFFAOYSA-N
MW384.29 g/mol
LogP4.47
Rot. Bonds6

About N-(2-aminophenyl)-5,6-bis(difluoromethoxy)-1-benzofuran-2-carboxamide

N-(2-aminophenyl)-5,6-bis(difluoromethoxy)-1-benzofuran-2-carboxamide (PubChem CID 52919931) has the molecular formula C17H12F4N2O4 and a molecular weight of 384.29 g/mol. Its IUPAC name is N-(2-aminophenyl)-5,6-bis(difluoromethoxy)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5,6-bis(difluoromethoxy)-1-benzofuran-2-carboxamide
PubChem CID52919931
Molecular FormulaC17H12F4N2O4
Molecular Weight384.29 g/mol
Exact Mass384.07
IUPAC NameN-(2-aminophenyl)-5,6-bis(difluoromethoxy)-1-benzofuran-2-carboxamide
SMILESNc1ccccc1NC(=O)c1cc2cc(OC(F)F)c(OC(F)F)cc2o1
InChIInChI=1S/C17H12F4N2O4/c18-16(19)26-12-5-8-6-14(25-11(8)7-13(12)27-17(20)21)15(24)23-10-4-2-1-3-9(10)22/h1-7,16-17H,22H2,(H,23,24)
InChIKeyFYTUTQFUGQUFLS-UHFFFAOYSA-N
XLogP4.47
TPSA86.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.29
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-phenylphenyl)-5,6-dimethoxy-1-benzofuran-2-carboxamide
CID 59737565
N-(2-aminophenyl)-6,7-dimethyl-1-benzofuran-2-carboxamide
CID 91099174
N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 1422056
5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 9138991
N-(2-amino-6-fluorophenyl)-1-benzofuran-2-carboxamide
CID 81315294
N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24697022
N-(2-aminophenyl)-5-[(3-methoxyphenyl)methylamino]-1-benzofuran-2-carboxamide
CID 58930472
N-[2-(difluoromethylsulfonyl)phenyl]-1-benzofuran-2-carboxamide
CID 8916691
5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide
CID 61290396
N-(2-aminophenyl)-5-(pyridin-3-ylmethylamino)-1-benzofuran-2-carboxamide
CID 58930599
N-(2-butoxyphenyl)-5-chloro-1-benzofuran-2-carboxamide
CID 19240940
5-bromo-N-[3-(difluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 55782296

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5,6-bis(difluoromethoxy)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5,6-bis(difluoromethoxy)-1-benzofuran-2-carboxamide (CID 52919931) is N-(2-aminophenyl)-5,6-bis(difluoromethoxy)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5,6-bis(difluoromethoxy)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5,6-bis(difluoromethoxy)-1-benzofuran-2-carboxamide is Nc1ccccc1NC(=O)c1cc2cc(OC(F)F)c(OC(F)F)cc2o1.
What is the InChIKey of N-(2-aminophenyl)-5,6-bis(difluoromethoxy)-1-benzofuran-2-carboxamide?
The InChIKey is FYTUTQFUGQUFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O4/c18-16(19)26-12-5-8-6-14(25-11(8)7-13(12)27-17(20)21)15(24)23-10-4-2-1-3-9(10)22/h1-7,16-17H,22H2,(H,23,24).
What are the key properties of N-(2-aminophenyl)-5,6-bis(difluoromethoxy)-1-benzofuran-2-carboxamide?
N-(2-aminophenyl)-5,6-bis(difluoromethoxy)-1-benzofuran-2-carboxamide has a molecular weight of 384.29 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5,6-bis(difluoromethoxy)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 52919931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).