N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide

C17H17ClN2O — CID 82870824

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NC1CCc2cc(N)ccc21
InChIInChI=1S/C17H17ClN2O/c1-10-2-4-12(18)9-15(10)17(21)20-16-7-3-11-8-13(19)5-6-14(11)16/h2,4-6,8-9,16H,3,7,19H2,1H3,(H,20,21)
InChIKeyPJSRRSZBHLTLGV-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.65
Rot. Bonds2

About N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide (PubChem CID 82870824) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide
PubChem CID82870824
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NC1CCc2cc(N)ccc21
InChIInChI=1S/C17H17ClN2O/c1-10-2-4-12(18)9-15(10)17(21)20-16-7-3-11-8-13(19)5-6-14(11)16/h2,4-6,8-9,16H,3,7,19H2,1H3,(H,20,21)
InChIKeyPJSRRSZBHLTLGV-UHFFFAOYSA-N
XLogP3.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide (CID 82870824) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)NC1CCc2cc(N)ccc21.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide?
The InChIKey is PJSRRSZBHLTLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-10-2-4-12(18)9-15(10)17(21)20-16-7-3-11-8-13(19)5-6-14(11)16/h2,4-6,8-9,16H,3,7,19H2,1H3,(H,20,21).
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide has a molecular weight of 300.79 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide is sourced from PubChem (CID 82870824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).