N-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide

C15H12F2N2O2 — CID 63732681

IUPACN-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESNc1cc(NC(=O)c2ccc3c(c2)COC3)c(F)cc1F
InChIInChI=1S/C15H12F2N2O2/c16-11-4-12(17)14(5-13(11)18)19-15(20)8-1-2-9-6-21-7-10(9)3-8/h1-5H,6-7,18H2,(H,19,20)
InChIKeyHVEPFGPDKXYUKD-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.83
Rot. Bonds2

About N-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide

N-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 63732681) has the molecular formula C15H12F2N2O2 and a molecular weight of 290.27 g/mol. Its IUPAC name is N-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID63732681
Molecular FormulaC15H12F2N2O2
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC NameN-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESNc1cc(NC(=O)c2ccc3c(c2)COC3)c(F)cc1F
InChIInChI=1S/C15H12F2N2O2/c16-11-4-12(17)14(5-13(11)18)19-15(20)8-1-2-9-6-21-7-10(9)3-8/h1-5H,6-7,18H2,(H,19,20)
InChIKeyHVEPFGPDKXYUKD-UHFFFAOYSA-N
XLogP2.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49156312
N-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 115912217
3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 62814302
N-(5-amino-2,4-difluorophenyl)-3-hydroxybenzamide
CID 43549881
N-(3-fluoro-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 64782580
N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79954013
N-(5-amino-2,4-difluorophenyl)-4-propan-2-ylbenzamide
CID 43549828
N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide
CID 43549901
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107608717
N-(5-amino-2,4-difluorophenyl)-3-bromo-4-methoxybenzamide
CID 61033191
N-(5-amino-2-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18071479
N-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49163356

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide (CID 63732681) is N-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide is Nc1cc(NC(=O)c2ccc3c(c2)COC3)c(F)cc1F.
What is the InChIKey of N-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is HVEPFGPDKXYUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2/c16-11-4-12(17)14(5-13(11)18)19-15(20)8-1-2-9-6-21-7-10(9)3-8/h1-5H,6-7,18H2,(H,19,20).
What are the key properties of N-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
N-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 290.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 63732681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).