N-(2,3-dihydro-1H-inden-5-yl)-2-(4-nitrophenyl)acetamide

C17H16N2O3 — CID 9398234

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H16N2O3/c20-17(10-12-4-8-16(9-5-12)19(21)22)18-15-7-6-13-2-1-3-14(13)11-15/h4-9,11H,1-3,10H2,(H,18,20)
InChIKeyYCABMMCPCZFARB-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.26
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-2-(4-nitrophenyl)acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-(4-nitrophenyl)acetamide (PubChem CID 9398234) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(4-nitrophenyl)acetamide
PubChem CID9398234
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H16N2O3/c20-17(10-12-4-8-16(9-5-12)19(21)22)18-15-7-6-13-2-1-3-14(13)11-15/h4-9,11H,1-3,10H2,(H,18,20)
InChIKeyYCABMMCPCZFARB-UHFFFAOYSA-N
XLogP3.26
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.26
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'}

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Related Compounds

2-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2634509
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate
CID 7691513
N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide
CID 4536667
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide
CID 7826020
N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 64793021
N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide
CID 3317661
(2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(4-nitrophenyl)propanamide
CID 25408377
N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide
CID 34110855
N-[4-(1-cyanocyclopentyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 21216723
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 115166897

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-nitrophenyl)acetamide (CID 9398234) is N-(2,3-dihydro-1H-inden-5-yl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-nitrophenyl)acetamide?
The InChIKey is YCABMMCPCZFARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-17(10-12-4-8-16(9-5-12)19(21)22)18-15-7-6-13-2-1-3-14(13)11-15/h4-9,11H,1-3,10H2,(H,18,20).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-nitrophenyl)acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-nitrophenyl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 9398234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).