N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide

C17H15ClN2O3 — CID 52740733

IUPACN-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1[N+](=O)[O-]
InChIInChI=1S/C17H15ClN2O3/c1-10-2-3-12(9-16(10)20(22)23)17(21)19-15-7-4-11-8-13(18)5-6-14(11)15/h2-3,5-6,8-9,15H,4,7H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyIWWYROVKUNGMKI-OAHLLOKOSA-N
MW330.77 g/mol
LogP3.97
Rot. Bonds3

About N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide

N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide (PubChem CID 52740733) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide
PubChem CID52740733
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC NameN-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1[N+](=O)[O-]
InChIInChI=1S/C17H15ClN2O3/c1-10-2-3-12(9-16(10)20(22)23)17(21)19-15-7-4-11-8-13(18)5-6-14(11)15/h2-3,5-6,8-9,15H,4,7H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyIWWYROVKUNGMKI-OAHLLOKOSA-N
XLogP3.97
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide 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-methylbenzamide
CID 79721854
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide
CID 42925944
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 155283136
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide
CID 82870824
N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(methylsulfonylmethyl)benzamide
CID 155283312
5-chloro-N-(5-methyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 115912374
N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethylsulfonylamino)benzamide
CID 162768159
N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide
CID 711327
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-(dimethylsulfamoylamino)benzamide
CID 155718277
4-methyl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 55068272
N-(3-aminocyclobutyl)-4-methyl-3-nitrobenzamide
CID 43595120
5-chloro-N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 164939975

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide?
The IUPAC name of N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide (CID 52740733) is N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide is Cc1ccc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1[N+](=O)[O-].
What is the InChIKey of N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide?
The InChIKey is IWWYROVKUNGMKI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-10-2-3-12(9-16(10)20(22)23)17(21)19-15-7-4-11-8-13(18)5-6-14(11)15/h2-3,5-6,8-9,15H,4,7H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide?
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide has a molecular weight of 330.77 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 52740733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).