2-[furan-2-carbonyl(methyl)amino]benzoic acid

C13H11NO4 — CID 792367

IUPAC2-[furan-2-carbonyl(methyl)amino]benzoic acid
SMILESCN(C(=O)c1ccco1)c1ccccc1C(=O)O
InChIInChI=1S/C13H11NO4/c1-14(12(15)11-7-4-8-18-11)10-6-3-2-5-9(10)13(16)17/h2-8H,1H3,(H,16,17)
InChIKeyXUTOVKFGVYNJCP-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.25
Rot. Bonds3

About 2-[furan-2-carbonyl(methyl)amino]benzoic acid

2-[furan-2-carbonyl(methyl)amino]benzoic acid (PubChem CID 792367) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-[furan-2-carbonyl(methyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[furan-2-carbonyl(methyl)amino]benzoic acid
PubChem CID792367
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name2-[furan-2-carbonyl(methyl)amino]benzoic acid
SMILESCN(C(=O)c1ccco1)c1ccccc1C(=O)O
InChIInChI=1S/C13H11NO4/c1-14(12(15)11-7-4-8-18-11)10-6-3-2-5-9(10)13(16)17/h2-8H,1H3,(H,16,17)
InChIKeyXUTOVKFGVYNJCP-UHFFFAOYSA-N
XLogP2.25
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Furalaxyl
CID 42504
2-[(Furan-2-carbonyl)-amino]-benzoic acid
CID 722854
Methyl 2-(furan-2-carbonylamino)benzoate
CID 310138
4-(((5-Methyl-2-furanyl)carbonyl)amino)benzeneacetic acid
CID 800730
N-(2-methylphenyl)-2-furamide
CID 2246088
Mls000758512
CID 332769
2-[(4,5-Dimethyl-furan-2-carbonyl)-amino]-benzoic acid
CID 823604
N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 829463
3-[({2-[(Furan-2-ylcarbonyl)amino]phenyl}carbonyl)amino]benzoic acid
CID 905918
4-{2-[(Furan-2-carbonyl)-amino]-3-furan-2-yl-acryloylamino}-benzoic acid
CID 1163059
[2-(Methylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 2365479
[2-(4-Methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 2430426

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-carbonyl(methyl)amino]benzoic acid?
The IUPAC name of 2-[furan-2-carbonyl(methyl)amino]benzoic acid (CID 792367) is 2-[furan-2-carbonyl(methyl)amino]benzoic acid.
What is the SMILES notation for 2-[furan-2-carbonyl(methyl)amino]benzoic acid?
The canonical SMILES for 2-[furan-2-carbonyl(methyl)amino]benzoic acid is CN(C(=O)c1ccco1)c1ccccc1C(=O)O.
What is the InChIKey of 2-[furan-2-carbonyl(methyl)amino]benzoic acid?
The InChIKey is XUTOVKFGVYNJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-14(12(15)11-7-4-8-18-11)10-6-3-2-5-9(10)13(16)17/h2-8H,1H3,(H,16,17).
What are the key properties of 2-[furan-2-carbonyl(methyl)amino]benzoic acid?
2-[furan-2-carbonyl(methyl)amino]benzoic acid has a molecular weight of 245.23 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-carbonyl(methyl)amino]benzoic acid is sourced from PubChem (CID 792367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).