5-chloro-2-(2,3-dihydro-1H-inden-2-ylamino)benzoic acid

C16H14ClNO2 — CID 107853439

IUPAC5-chloro-2-(2,3-dihydro-1H-inden-2-ylamino)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1NC1Cc2ccccc2C1
InChIInChI=1S/C16H14ClNO2/c17-12-5-6-15(14(9-12)16(19)20)18-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13,18H,7-8H2,(H,19,20)
InChIKeySUEMEQITFYSTOC-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.62
Rot. Bonds3

About 5-chloro-2-(2,3-dihydro-1H-inden-2-ylamino)benzoic acid

5-chloro-2-(2,3-dihydro-1H-inden-2-ylamino)benzoic acid (PubChem CID 107853439) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 5-chloro-2-(2,3-dihydro-1H-inden-2-ylamino)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(2,3-dihydro-1H-inden-2-ylamino)benzoic acid
PubChem CID107853439
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name5-chloro-2-(2,3-dihydro-1H-inden-2-ylamino)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1NC1Cc2ccccc2C1
InChIInChI=1S/C16H14ClNO2/c17-12-5-6-15(14(9-12)16(19)20)18-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13,18H,7-8H2,(H,19,20)
InChIKeySUEMEQITFYSTOC-UHFFFAOYSA-N
XLogP3.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-(2,3-dihydro-1H-inden-2-ylamino)benzoic acid
CID 107854704
5-chloro-2-[(5-oxopyrrolidin-3-yl)amino]benzoic acid
CID 106189904
[5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone
CID 14598884
5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid
CID 64921035
5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-iodobenzamide
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5-chloro-2-[(3-methylsulfanylcyclohexyl)amino]benzoic acid
CID 114123496
5-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61186634
2-(2-bromoanilino)-5-chlorobenzoic acid
CID 55225473
5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid
CID 114178785
3-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid
CID 107854716
2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid
CID 61404300
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,3-dihydro-1H-inden-2-ylamino)benzoic acid?
The IUPAC name of 5-chloro-2-(2,3-dihydro-1H-inden-2-ylamino)benzoic acid (CID 107853439) is 5-chloro-2-(2,3-dihydro-1H-inden-2-ylamino)benzoic acid.
What is the SMILES notation for 5-chloro-2-(2,3-dihydro-1H-inden-2-ylamino)benzoic acid?
The canonical SMILES for 5-chloro-2-(2,3-dihydro-1H-inden-2-ylamino)benzoic acid is O=C(O)c1cc(Cl)ccc1NC1Cc2ccccc2C1.
What is the InChIKey of 5-chloro-2-(2,3-dihydro-1H-inden-2-ylamino)benzoic acid?
The InChIKey is SUEMEQITFYSTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-12-5-6-15(14(9-12)16(19)20)18-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13,18H,7-8H2,(H,19,20).
What are the key properties of 5-chloro-2-(2,3-dihydro-1H-inden-2-ylamino)benzoic acid?
5-chloro-2-(2,3-dihydro-1H-inden-2-ylamino)benzoic acid has a molecular weight of 287.75 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,3-dihydro-1H-inden-2-ylamino)benzoic acid is sourced from PubChem (CID 107853439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).