5-chloro-2-[(1,2-dimethylindol-5-yl)amino]benzoic acid

C17H15ClN2O2 — CID 46185781

IUPAC5-chloro-2-[(1,2-dimethylindol-5-yl)amino]benzoic acid
SMILESCc1cc2cc(Nc3ccc(Cl)cc3C(=O)O)ccc2n1C
InChIInChI=1S/C17H15ClN2O2/c1-10-7-11-8-13(4-6-16(11)20(10)2)19-15-5-3-12(18)9-14(15)17(21)22/h3-9,19H,1-2H3,(H,21,22)
InChIKeyIFJOIFGEPXXMNO-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.58
Rot. Bonds3

About 5-chloro-2-[(1,2-dimethylindol-5-yl)amino]benzoic acid

5-chloro-2-[(1,2-dimethylindol-5-yl)amino]benzoic acid (PubChem CID 46185781) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 5-chloro-2-[(1,2-dimethylindol-5-yl)amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(1,2-dimethylindol-5-yl)amino]benzoic acid
PubChem CID46185781
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name5-chloro-2-[(1,2-dimethylindol-5-yl)amino]benzoic acid
SMILESCc1cc2cc(Nc3ccc(Cl)cc3C(=O)O)ccc2n1C
InChIInChI=1S/C17H15ClN2O2/c1-10-7-11-8-13(4-6-16(11)20(10)2)19-15-5-3-12(18)9-14(15)17(21)22/h3-9,19H,1-2H3,(H,21,22)
InChIKeyIFJOIFGEPXXMNO-UHFFFAOYSA-N
XLogP4.58
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[5-(2-carboxy-4-chloroanilino)indol-1-yl]-2-chlorobenzoic acid;methane
CID 144618913
5-chloro-2-[(1-pyridin-3-ylindol-5-yl)amino]benzoic acid
CID 90152581
5-chloro-2-(4-methoxyanilino)benzoic acid
CID 13371480
5-chloro-2-[[1-(cyclopropylmethyl)indol-5-yl]amino]benzoic acid
CID 90152599
2-[(1-benzylindazol-5-yl)amino]-5-chlorobenzoic acid
CID 90152676
2-[(6-bromo-3-pyridinyl)amino]-5-chlorobenzoic acid
CID 86657259
2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid
CID 63537148
5-chloro-2-(3,5-dimethoxyanilino)benzoic acid
CID 63536953
5-chloro-2-(3,5-dichloro-4-fluoroanilino)benzoic acid
CID 107575496
5-acetyl-2-(4-chloroanilino)benzoic acid
CID 70686076
2-[(6-bromo-5-methyl-3-pyridinyl)amino]-5-chlorobenzoic acid
CID 86657260
5-chloro-2-(3-ethoxyanilino)benzoic acid
CID 63538185

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1,2-dimethylindol-5-yl)amino]benzoic acid?
The IUPAC name of 5-chloro-2-[(1,2-dimethylindol-5-yl)amino]benzoic acid (CID 46185781) is 5-chloro-2-[(1,2-dimethylindol-5-yl)amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(1,2-dimethylindol-5-yl)amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[(1,2-dimethylindol-5-yl)amino]benzoic acid is Cc1cc2cc(Nc3ccc(Cl)cc3C(=O)O)ccc2n1C.
What is the InChIKey of 5-chloro-2-[(1,2-dimethylindol-5-yl)amino]benzoic acid?
The InChIKey is IFJOIFGEPXXMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-10-7-11-8-13(4-6-16(11)20(10)2)19-15-5-3-12(18)9-14(15)17(21)22/h3-9,19H,1-2H3,(H,21,22).
What are the key properties of 5-chloro-2-[(1,2-dimethylindol-5-yl)amino]benzoic acid?
5-chloro-2-[(1,2-dimethylindol-5-yl)amino]benzoic acid has a molecular weight of 314.77 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1,2-dimethylindol-5-yl)amino]benzoic acid is sourced from PubChem (CID 46185781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).