5-(furan-2-carbonylamino)-1,3-dihydroisoindole-2-carboxylic acid

C14H12N2O4 — CID 138520836

IUPAC5-(furan-2-carbonylamino)-1,3-dihydroisoindole-2-carboxylic acid
SMILESO=C(Nc1ccc2c(c1)CN(C(=O)O)C2)c1ccco1
InChIInChI=1S/C14H12N2O4/c17-13(12-2-1-5-20-12)15-11-4-3-9-7-16(14(18)19)8-10(9)6-11/h1-6H,7-8H2,(H,15,17)(H,18,19)
InChIKeyGZJIJQCGAMMPFQ-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.53
Rot. Bonds2

About 5-(furan-2-carbonylamino)-1,3-dihydroisoindole-2-carboxylic acid

5-(furan-2-carbonylamino)-1,3-dihydroisoindole-2-carboxylic acid (PubChem CID 138520836) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-(furan-2-carbonylamino)-1,3-dihydroisoindole-2-carboxylic acid.

Molecular Properties

Compound Name5-(furan-2-carbonylamino)-1,3-dihydroisoindole-2-carboxylic acid
PubChem CID138520836
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name5-(furan-2-carbonylamino)-1,3-dihydroisoindole-2-carboxylic acid
SMILESO=C(Nc1ccc2c(c1)CN(C(=O)O)C2)c1ccco1
InChIInChI=1S/C14H12N2O4/c17-13(12-2-1-5-20-12)15-11-4-3-9-7-16(14(18)19)8-10(9)6-11/h1-6H,7-8H2,(H,15,17)(H,18,19)
InChIKeyGZJIJQCGAMMPFQ-UHFFFAOYSA-N
XLogP2.53
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)furan-2-carboxamide
CID 110461172
N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide
CID 16930034
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dimethylbenzamide
CID 16943267
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-(1-methyl-2,3-dihydroindol-5-yl)furan-2-carboxamide
CID 110729319
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
3,4-dichloro-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943248
2,5-dichloro-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943244
N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide
CID 16930286
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide
CID 18571249
N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide
CID 16930619

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-carbonylamino)-1,3-dihydroisoindole-2-carboxylic acid?
The IUPAC name of 5-(furan-2-carbonylamino)-1,3-dihydroisoindole-2-carboxylic acid (CID 138520836) is 5-(furan-2-carbonylamino)-1,3-dihydroisoindole-2-carboxylic acid.
What is the SMILES notation for 5-(furan-2-carbonylamino)-1,3-dihydroisoindole-2-carboxylic acid?
The canonical SMILES for 5-(furan-2-carbonylamino)-1,3-dihydroisoindole-2-carboxylic acid is O=C(Nc1ccc2c(c1)CN(C(=O)O)C2)c1ccco1.
What is the InChIKey of 5-(furan-2-carbonylamino)-1,3-dihydroisoindole-2-carboxylic acid?
The InChIKey is GZJIJQCGAMMPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-13(12-2-1-5-20-12)15-11-4-3-9-7-16(14(18)19)8-10(9)6-11/h1-6H,7-8H2,(H,15,17)(H,18,19).
What are the key properties of 5-(furan-2-carbonylamino)-1,3-dihydroisoindole-2-carboxylic acid?
5-(furan-2-carbonylamino)-1,3-dihydroisoindole-2-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-carbonylamino)-1,3-dihydroisoindole-2-carboxylic acid is sourced from PubChem (CID 138520836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).