2-(2-bromoanilino)-1,3-dihydroindene-2-carboxylic acid

C16H14BrNO2 — CID 60993681

IUPAC2-(2-bromoanilino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(Nc2ccccc2Br)Cc2ccccc2C1
InChIInChI=1S/C16H14BrNO2/c17-13-7-3-4-8-14(13)18-16(15(19)20)9-11-5-1-2-6-12(11)10-16/h1-8,18H,9-10H2,(H,19,20)
InChIKeyLUQDHBGZENIRFW-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.48
Rot. Bonds3

About 2-(2-bromoanilino)-1,3-dihydroindene-2-carboxylic acid

2-(2-bromoanilino)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 60993681) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 2-(2-bromoanilino)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromoanilino)-1,3-dihydroindene-2-carboxylic acid
PubChem CID60993681
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name2-(2-bromoanilino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(O)C1(Nc2ccccc2Br)Cc2ccccc2C1
InChIInChI=1S/C16H14BrNO2/c17-13-7-3-4-8-14(13)18-16(15(19)20)9-11-5-1-2-6-12(11)10-16/h1-8,18H,9-10H2,(H,19,20)
InChIKeyLUQDHBGZENIRFW-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromoanilino)-5-chloro-1,3-dihydroindene-2-carboxylic acid
CID 115349297
1-(2-bromoanilino)cyclobutane-1-carboxylic acid
CID 62389463
1-(2-bromoanilino)cyclohexane-1-carboxylic acid
CID 60992832
1-(2-bromoanilino)cycloheptane-1-carboxamide
CID 54891882
2-[2-[(E)-2-cyclopropylethenyl]-3-methylanilino]-1,3-dihydroindene-2-carboxylic acid
CID 152562445
4-(2-bromoanilino)-1-ethylazepane-4-carboxylic acid
CID 65075905
1-(3-bromo-2-cyanoanilino)cyclopropane-1-carboxylic acid
CID 114880227
2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid
CID 60992148
2-(2-methylanilino)-1,3-dihydroindene-2-carboxamide
CID 61006409
2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 75428971
(2-bromophenyl)carbamic acid
CID 15021878
1-(2-bromoanilino)-3-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 107429284

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(2-bromoanilino)-1,3-dihydroindene-2-carboxylic acid (CID 60993681) is 2-(2-bromoanilino)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(2-bromoanilino)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(2-bromoanilino)-1,3-dihydroindene-2-carboxylic acid is O=C(O)C1(Nc2ccccc2Br)Cc2ccccc2C1.
What is the InChIKey of 2-(2-bromoanilino)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is LUQDHBGZENIRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c17-13-7-3-4-8-14(13)18-16(15(19)20)9-11-5-1-2-6-12(11)10-16/h1-8,18H,9-10H2,(H,19,20).
What are the key properties of 2-(2-bromoanilino)-1,3-dihydroindene-2-carboxylic acid?
2-(2-bromoanilino)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 332.20 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 60993681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).