3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide

C16H13BrClNO — CID 103981419

IUPAC3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide
SMILESO=C(NC1CCc2ccccc21)c1cccc(Br)c1Cl
InChIInChI=1S/C16H13BrClNO/c17-13-7-3-6-12(15(13)18)16(20)19-14-9-8-10-4-1-2-5-11(10)14/h1-7,14H,8-9H2,(H,19,20)
InChIKeyJFHCNNLRMQHLCY-UHFFFAOYSA-N
MW350.64 g/mol
LogP4.52
Rot. Bonds2

About 3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide

3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide (PubChem CID 103981419) has the molecular formula C16H13BrClNO and a molecular weight of 350.64 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide
PubChem CID103981419
Molecular FormulaC16H13BrClNO
Molecular Weight350.64 g/mol
Exact Mass348.99
IUPAC Name3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide
SMILESO=C(NC1CCc2ccccc21)c1cccc(Br)c1Cl
InChIInChI=1S/C16H13BrClNO/c17-13-7-3-6-12(15(13)18)16(20)19-14-9-8-10-4-1-2-5-11(10)14/h1-7,14H,8-9H2,(H,19,20)
InChIKeyJFHCNNLRMQHLCY-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.64
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 114370976
2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 51273724
3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613
3-chloro-2-hydroxy-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)benzamide
CID 138509822
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide
CID 42889076
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-2-methylbenzamide
CID 79722653
3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide
CID 110021575
N-(2,3-dihydro-1H-inden-1-yl)-2-methylfuran-3-carboxamide
CID 47015555
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide
CID 81266310

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide (CID 103981419) is 3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide is O=C(NC1CCc2ccccc21)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide?
The InChIKey is JFHCNNLRMQHLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClNO/c17-13-7-3-6-12(15(13)18)16(20)19-14-9-8-10-4-1-2-5-11(10)14/h1-7,14H,8-9H2,(H,19,20).
What are the key properties of 3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide?
3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide has a molecular weight of 350.64 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide is sourced from PubChem (CID 103981419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).