4-(2,3-dihydro-1-benzofuran-3-ylamino)-2-methylbenzoic acid

C16H15NO3 — CID 81282707

IUPAC4-(2,3-dihydro-1-benzofuran-3-ylamino)-2-methylbenzoic acid
SMILESCc1cc(NC2COc3ccccc32)ccc1C(=O)O
InChIInChI=1S/C16H15NO3/c1-10-8-11(6-7-12(10)16(18)19)17-14-9-20-15-5-3-2-4-13(14)15/h2-8,14,17H,9H2,1H3,(H,18,19)
InChIKeyDXHRAEVEKKNQNA-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.24
Rot. Bonds3

About 4-(2,3-dihydro-1-benzofuran-3-ylamino)-2-methylbenzoic acid

4-(2,3-dihydro-1-benzofuran-3-ylamino)-2-methylbenzoic acid (PubChem CID 81282707) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-3-ylamino)-2-methylbenzoic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-3-ylamino)-2-methylbenzoic acid
PubChem CID81282707
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name4-(2,3-dihydro-1-benzofuran-3-ylamino)-2-methylbenzoic acid
SMILESCc1cc(NC2COc3ccccc32)ccc1C(=O)O
InChIInChI=1S/C16H15NO3/c1-10-8-11(6-7-12(10)16(18)19)17-14-9-20-15-5-3-2-4-13(14)15/h2-8,14,17H,9H2,1H3,(H,18,19)
InChIKeyDXHRAEVEKKNQNA-UHFFFAOYSA-N
XLogP3.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-ylamino)-2-methylbenzoic acid?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-ylamino)-2-methylbenzoic acid (CID 81282707) is 4-(2,3-dihydro-1-benzofuran-3-ylamino)-2-methylbenzoic acid.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-3-ylamino)-2-methylbenzoic acid?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-3-ylamino)-2-methylbenzoic acid is Cc1cc(NC2COc3ccccc32)ccc1C(=O)O.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-3-ylamino)-2-methylbenzoic acid?
The InChIKey is DXHRAEVEKKNQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-10-8-11(6-7-12(10)16(18)19)17-14-9-20-15-5-3-2-4-13(14)15/h2-8,14,17H,9H2,1H3,(H,18,19).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-3-ylamino)-2-methylbenzoic acid?
4-(2,3-dihydro-1-benzofuran-3-ylamino)-2-methylbenzoic acid has a molecular weight of 269.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-3-ylamino)-2-methylbenzoic acid is sourced from PubChem (CID 81282707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).