2-methyl-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid

C14H13NO4 — CID 60748960

IUPAC2-methyl-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)O)c2C)o1
InChIInChI=1S/C14H13NO4/c1-8-6-7-12(19-8)13(16)15-11-5-3-4-10(9(11)2)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyUCNXFBZYNCSQKH-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.85
Rot. Bonds3

About 2-methyl-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid

2-methyl-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid (PubChem CID 60748960) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-methyl-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid
PubChem CID60748960
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2-methyl-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)O)c2C)o1
InChIInChI=1S/C14H13NO4/c1-8-6-7-12(19-8)13(16)15-11-5-3-4-10(9(11)2)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyUCNXFBZYNCSQKH-UHFFFAOYSA-N
XLogP2.85
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 28779501
4-bromo-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 54933050
N-(2-fluorophenyl)-5-methylfuran-2-carboxamide
CID 3297570
3-(methoxycarbonylamino)-2-methylbenzoic acid
CID 62947415
3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 63112090
3-[(2-carboxyacetyl)amino]-2-methylbenzoic acid
CID 62231492
2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 103791548
2-[(5-tert-butylfuran-2-carbonyl)amino]benzoic acid
CID 778066
3-[[2-(4-chlorophenyl)acetyl]amino]-2-methylbenzoic acid
CID 974933
2-[[(E)-4-(5-methylfuran-2-yl)-4-oxobut-2-en-2-yl]amino]benzoic acid
CID 126359238
5-methyl-N-quinolin-5-ylfuran-2-carboxamide
CID 9452246
3-[(2-bromoacetyl)amino]-2-methylbenzoic acid
CID 63679679

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-methyl-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid (CID 60748960) is 2-methyl-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-methyl-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-methyl-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2C)o1.
What is the InChIKey of 2-methyl-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid?
The InChIKey is UCNXFBZYNCSQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-8-6-7-12(19-8)13(16)15-11-5-3-4-10(9(11)2)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid?
2-methyl-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid has a molecular weight of 259.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 60748960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).