N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide

C17H17ClN2O — CID 79721854

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCc3cc(N)ccc32)cc1Cl
InChIInChI=1S/C17H17ClN2O/c1-10-2-3-12(9-15(10)18)17(21)20-16-7-4-11-8-13(19)5-6-14(11)16/h2-3,5-6,8-9,16H,4,7,19H2,1H3,(H,20,21)
InChIKeyUWEBNINADGSNFF-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.65
Rot. Bonds2

About N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide (PubChem CID 79721854) 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)-3-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide
PubChem CID79721854
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCc3cc(N)ccc32)cc1Cl
InChIInChI=1S/C17H17ClN2O/c1-10-2-3-12(9-15(10)18)17(21)20-16-7-4-11-8-13(19)5-6-14(11)16/h2-3,5-6,8-9,16H,4,7,19H2,1H3,(H,20,21)
InChIKeyUWEBNINADGSNFF-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'}

Analyze N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide 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

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-iodobenzamide
CID 103209666
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide
CID 82870824
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-5-methylbenzamide
CID 81316696
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide
CID 79741651
4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167568086
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide
CID 79740821
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103403825
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-5-chlorobenzamide
CID 107940112
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide
CID 81266310
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 79723212
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide
CID 52740733
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-2-methylbenzamide
CID 79722653

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide (CID 79721854) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide is Cc1ccc(C(=O)NC2CCc3cc(N)ccc32)cc1Cl.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide?
The InChIKey is UWEBNINADGSNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-10-2-3-12(9-15(10)18)17(21)20-16-7-4-11-8-13(19)5-6-14(11)16/h2-3,5-6,8-9,16H,4,7,19H2,1H3,(H,20,21).
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-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)-3-chloro-4-methylbenzamide is sourced from PubChem (CID 79721854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).