4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid

C15H10ClNO3 — CID 146216092

IUPAC4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid
SMILESO=C1Cc2cc(-c3cc(C(=O)O)ccc3Cl)ccc2N1
InChIInChI=1S/C15H10ClNO3/c16-12-3-1-9(15(19)20)6-11(12)8-2-4-13-10(5-8)7-14(18)17-13/h1-6H,7H2,(H,17,18)(H,19,20)
InChIKeyHCYBKCHWSAQKRX-UHFFFAOYSA-N
MW287.70 g/mol
LogP3.20
Rot. Bonds2

About 4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid

4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid (PubChem CID 146216092) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is 4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid.

Molecular Properties

Compound Name4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid
PubChem CID146216092
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid
SMILESO=C1Cc2cc(-c3cc(C(=O)O)ccc3Cl)ccc2N1
InChIInChI=1S/C15H10ClNO3/c16-12-3-1-9(15(19)20)6-11(12)8-2-4-13-10(5-8)7-14(18)17-13/h1-6H,7H2,(H,17,18)(H,19,20)
InChIKeyHCYBKCHWSAQKRX-UHFFFAOYSA-N
XLogP3.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid
CID 82482165
5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one
CID 147482882
5-(2-chloro-6-phenylphenyl)-1,3-dihydroindol-2-one
CID 122655598
6-chloro-5-(4-hydroxyphenyl)-1,3-dihydroindol-2-one
CID 121317048
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600
5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one
CID 80503823
5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one
CID 103309352
3-(1,3-benzodioxol-5-yl)-4-chlorobenzoic acid
CID 39233116
5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid
CID 82293565
4-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-5-carboxylic acid
CID 82482166
3-[4-[4-(aminomethyl)phenyl]phenyl]-4-chlorobenzoic acid
CID 68551105
6-chloro-5-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one
CID 144760752

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid?
The IUPAC name of 4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid (CID 146216092) is 4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid.
What is the SMILES notation for 4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid?
The canonical SMILES for 4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid is O=C1Cc2cc(-c3cc(C(=O)O)ccc3Cl)ccc2N1.
What is the InChIKey of 4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid?
The InChIKey is HCYBKCHWSAQKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3/c16-12-3-1-9(15(19)20)6-11(12)8-2-4-13-10(5-8)7-14(18)17-13/h1-6H,7H2,(H,17,18)(H,19,20).
What are the key properties of 4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid?
4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid has a molecular weight of 287.70 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid is sourced from PubChem (CID 146216092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).