5-benzamido-2,3-dihydroindole-1-carboxylic acid

C16H14N2O3 — CID 23147979

IUPAC5-benzamido-2,3-dihydroindole-1-carboxylic acid
SMILESO=C(Nc1ccc2c(c1)CCN2C(=O)O)c1ccccc1
InChIInChI=1S/C16H14N2O3/c19-15(11-4-2-1-3-5-11)17-13-6-7-14-12(10-13)8-9-18(14)16(20)21/h1-7,10H,8-9H2,(H,17,19)(H,20,21)
InChIKeyAYHNENKQFOPVRD-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.98
Rot. Bonds2

About 5-benzamido-2,3-dihydroindole-1-carboxylic acid

5-benzamido-2,3-dihydroindole-1-carboxylic acid (PubChem CID 23147979) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-benzamido-2,3-dihydroindole-1-carboxylic acid.

Molecular Properties

Compound Name5-benzamido-2,3-dihydroindole-1-carboxylic acid
PubChem CID23147979
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name5-benzamido-2,3-dihydroindole-1-carboxylic acid
SMILESO=C(Nc1ccc2c(c1)CCN2C(=O)O)c1ccccc1
InChIInChI=1S/C16H14N2O3/c19-15(11-4-2-1-3-5-11)17-13-6-7-14-12(10-13)8-9-18(14)16(20)21/h1-7,10H,8-9H2,(H,17,19)(H,20,21)
InChIKeyAYHNENKQFOPVRD-UHFFFAOYSA-N
XLogP2.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7656757
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 121084310
3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
CID 110358428
N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide
CID 54839150
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110623445
N-(1-benzoyl-2,3-dihydroindol-5-yl)-2-ethyl-4-fluorobenzamide
CID 175211818
N-(1-benzoyl-2,3-dihydroindol-5-yl)-2-phenoxyacetamide
CID 112506133
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-fluorobenzamide
CID 27557625
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide
CID 51219427
N-(3,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049570
N-[2-[(1-methyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl]benzamide
CID 110744715
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 27557623

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-2,3-dihydroindole-1-carboxylic acid?
The IUPAC name of 5-benzamido-2,3-dihydroindole-1-carboxylic acid (CID 23147979) is 5-benzamido-2,3-dihydroindole-1-carboxylic acid.
What is the SMILES notation for 5-benzamido-2,3-dihydroindole-1-carboxylic acid?
The canonical SMILES for 5-benzamido-2,3-dihydroindole-1-carboxylic acid is O=C(Nc1ccc2c(c1)CCN2C(=O)O)c1ccccc1.
What is the InChIKey of 5-benzamido-2,3-dihydroindole-1-carboxylic acid?
The InChIKey is AYHNENKQFOPVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(11-4-2-1-3-5-11)17-13-6-7-14-12(10-13)8-9-18(14)16(20)21/h1-7,10H,8-9H2,(H,17,19)(H,20,21).
What are the key properties of 5-benzamido-2,3-dihydroindole-1-carboxylic acid?
5-benzamido-2,3-dihydroindole-1-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-2,3-dihydroindole-1-carboxylic acid is sourced from PubChem (CID 23147979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).