2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid

C18H15NO4 — CID 108793560

IUPAC2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid
SMILESCc1c(C(=O)Nc2ccc(CC(=O)O)cc2)oc2ccccc12
InChIInChI=1S/C18H15NO4/c1-11-14-4-2-3-5-15(14)23-17(11)18(22)19-13-8-6-12(7-9-13)10-16(20)21/h2-9H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyHICSKTATZVKRIR-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.62
Rot. Bonds4

About 2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid

2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid (PubChem CID 108793560) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid
PubChem CID108793560
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid
SMILESCc1c(C(=O)Nc2ccc(CC(=O)O)cc2)oc2ccccc12
InChIInChI=1S/C18H15NO4/c1-11-14-4-2-3-5-15(14)23-17(11)18(22)19-13-8-6-12(7-9-13)10-16(20)21/h2-9H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyHICSKTATZVKRIR-UHFFFAOYSA-N
XLogP3.62
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777
N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 788573
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17014036
N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7925267
N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7944836
3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-1-benzofuran-2-carboxamide
CID 108811485
N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26927325
N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814295
ethyl 2-[3-chloro-4-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetate
CID 70985006
3-methyl-N-[(4-methylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 880265
3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide
CID 7501768
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide
CID 27160886

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid (CID 108793560) is 2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid is Cc1c(C(=O)Nc2ccc(CC(=O)O)cc2)oc2ccccc12.
What is the InChIKey of 2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid?
The InChIKey is HICSKTATZVKRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-11-14-4-2-3-5-15(14)23-17(11)18(22)19-13-8-6-12(7-9-13)10-16(20)21/h2-9H,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid?
2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid has a molecular weight of 309.32 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 108793560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).