3-[methyl-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid

C17H16N2O3 — CID 91579104

IUPAC3-[methyl-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid
SMILESCc1ccc2c(c1)C(N(C)c1cccc(C(=O)O)c1)C(=O)N2
InChIInChI=1S/C17H16N2O3/c1-10-6-7-14-13(8-10)15(16(20)18-14)19(2)12-5-3-4-11(9-12)17(21)22/h3-9,15H,1-2H3,(H,18,20)(H,21,22)
InChIKeyPJSJBUUDOCPRJO-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.82
Rot. Bonds3

About 3-[methyl-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid

3-[methyl-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid (PubChem CID 91579104) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-[methyl-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid.

Molecular Properties

Compound Name3-[methyl-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid
PubChem CID91579104
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-[methyl-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid
SMILESCc1ccc2c(c1)C(N(C)c1cccc(C(=O)O)c1)C(=O)N2
InChIInChI=1S/C17H16N2O3/c1-10-6-7-14-13(8-10)15(16(20)18-14)19(2)12-5-3-4-11(9-12)17(21)22/h3-9,15H,1-2H3,(H,18,20)(H,21,22)
InChIKeyPJSJBUUDOCPRJO-UHFFFAOYSA-N
XLogP2.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N,4-dimethylanilino)benzoic acid
CID 102822798
3-methylbenzoic acid
CID 7418
3-[cycloheptyl(methyl)amino]benzoic acid
CID 102822720
3-(dimethylamino)benzoic acid;1H-pyrrole
CID 174771753
N-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 9178373
3-(N,3,4-trimethylanilino)benzoic acid
CID 117029291
N-benzyl-2-methyl-2-(7-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-yl)propanamide
CID 101492217
(3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367502
diethyl-[(3S,4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]azanium
CID 6943841
3-[methyl(pyrimidin-2-yl)amino]benzoic acid
CID 82512926
3-[methyl(1H-pyrrol-3-yl)amino]benzoic acid
CID 117043065
3-(N-[4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-(N-(3-carboxyphenyl)anilino)anilino]anilino]anilino]phenyl]anilino)benzoic acid
CID 101061815

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid?
The IUPAC name of 3-[methyl-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid (CID 91579104) is 3-[methyl-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid.
What is the SMILES notation for 3-[methyl-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid?
The canonical SMILES for 3-[methyl-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid is Cc1ccc2c(c1)C(N(C)c1cccc(C(=O)O)c1)C(=O)N2.
What is the InChIKey of 3-[methyl-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid?
The InChIKey is PJSJBUUDOCPRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-10-6-7-14-13(8-10)15(16(20)18-14)19(2)12-5-3-4-11(9-12)17(21)22/h3-9,15H,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 3-[methyl-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid?
3-[methyl-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid has a molecular weight of 296.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid is sourced from PubChem (CID 91579104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).