2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate

C17H12NO4- — CID 7463653

IUPAC2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
SMILESCc1c(C(=O)Nc2ccccc2C(=O)[O-])oc2ccccc12
InChIInChI=1S/C17H13NO4/c1-10-11-6-3-5-9-14(11)22-15(10)16(19)18-13-8-4-2-7-12(13)17(20)21/h2-9H,1H3,(H,18,19)(H,20,21)/p-1
InChIKeyCYUSSVGNTOTYNH-UHFFFAOYSA-M
MW294.29 g/mol
LogP2.36
Rot. Bonds3

About 2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate

2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate (PubChem CID 7463653) has the molecular formula C17H12NO4- and a molecular weight of 294.29 g/mol. Its IUPAC name is 2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Name2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
PubChem CID7463653
Molecular FormulaC17H12NO4-
Molecular Weight294.29 g/mol
Exact Mass294.08
IUPAC Name2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
SMILESCc1c(C(=O)Nc2ccccc2C(=O)[O-])oc2ccccc12
InChIInChI=1S/C17H13NO4/c1-10-11-6-3-5-9-14(11)22-15(10)16(19)18-13-8-4-2-7-12(13)17(20)21/h2-9H,1H3,(H,18,19)(H,20,21)/p-1
InChIKeyCYUSSVGNTOTYNH-UHFFFAOYSA-M
XLogP2.36
TPSA82.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-phenylsulfanylphenyl)-1-benzofuran-2-carboxamide
CID 108793551
3-methyl-N-quinolin-5-yl-1-benzofuran-2-carboxamide
CID 8873313
N-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 108805400
N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7770031
3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 26813929
3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777
methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 974608
3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide
CID 108793598
3-methyl-N'-(2-methyl-3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 26874015
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
3-[(2-carboxylatobenzoyl)amino]-2-methylbenzoate
CID 9326527
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685449

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate?
The IUPAC name of 2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate (CID 7463653) is 2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate.
What is the SMILES notation for 2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate?
The canonical SMILES for 2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate is Cc1c(C(=O)Nc2ccccc2C(=O)[O-])oc2ccccc12.
What is the InChIKey of 2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate?
The InChIKey is CYUSSVGNTOTYNH-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13NO4/c1-10-11-6-3-5-9-14(11)22-15(10)16(19)18-13-8-4-2-7-12(13)17(20)21/h2-9H,1H3,(H,18,19)(H,20,21)/p-1.
What are the key properties of 2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate?
2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate has a molecular weight of 294.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate is sourced from PubChem (CID 7463653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).