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

C15H13FN2O2 — CID 107334144

IUPACN-(3-amino-5-fluorophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESNc1cc(F)cc(NC(=O)C2COc3ccccc32)c1
InChIInChI=1S/C15H13FN2O2/c16-9-5-10(17)7-11(6-9)18-15(19)13-8-20-14-4-2-1-3-12(13)14/h1-7,13H,8,17H2,(H,18,19)
InChIKeyMTOJNQZLHFIDKK-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.52
Rot. Bonds2

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

N-(3-amino-5-fluorophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 107334144) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is N-(3-amino-5-fluorophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-5-fluorophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID107334144
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC NameN-(3-amino-5-fluorophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESNc1cc(F)cc(NC(=O)C2COc3ccccc32)c1
InChIInChI=1S/C15H13FN2O2/c16-9-5-10(17)7-11(6-9)18-15(19)13-8-20-14-4-2-1-3-12(13)14/h1-7,13H,8,17H2,(H,18,19)
InChIKeyMTOJNQZLHFIDKK-UHFFFAOYSA-N
XLogP2.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.52
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-(3-amino-5-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 107334050
N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 79767886
N-(5-amino-2,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 104757107
N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 113262838
N-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79754301
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
N-(3-amino-5-fluorophenyl)benzamide
CID 107334043
N-(3-amino-5-fluorophenyl)furan-2-carboxamide
CID 107333848
N-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79760288
N-[3-(aminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710267
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
N-(3-amino-5-fluorophenyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107333937

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-fluorophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-(3-amino-5-fluorophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide (CID 107334144) is N-(3-amino-5-fluorophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(3-amino-5-fluorophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(3-amino-5-fluorophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide is Nc1cc(F)cc(NC(=O)C2COc3ccccc32)c1.
What is the InChIKey of N-(3-amino-5-fluorophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is MTOJNQZLHFIDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c16-9-5-10(17)7-11(6-9)18-15(19)13-8-20-14-4-2-1-3-12(13)14/h1-7,13H,8,17H2,(H,18,19).
What are the key properties of N-(3-amino-5-fluorophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
N-(3-amino-5-fluorophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 272.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5-fluorophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 107334144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).