N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide

C14H11ClN2O4 — CID 114302230

IUPACN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide
SMILESO=C(NC1c2ccccc2CC1Cl)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H11ClN2O4/c15-10-7-8-3-1-2-4-9(8)13(10)16-14(18)11-5-6-12(21-11)17(19)20/h1-6,10,13H,7H2,(H,16,18)
InChIKeyLKQGVYFWVWWCMU-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.82
Rot. Bonds3

About N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide (PubChem CID 114302230) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide
PubChem CID114302230
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide
SMILESO=C(NC1c2ccccc2CC1Cl)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H11ClN2O4/c15-10-7-8-3-1-2-4-9(8)13(10)16-14(18)11-5-6-12(21-11)17(19)20/h1-6,10,13H,7H2,(H,16,18)
InChIKeyLKQGVYFWVWWCMU-UHFFFAOYSA-N
XLogP2.82
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-isoindol-1-yl)-5-nitrofuran-2-carboxamide
CID 3011950
2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide
CID 114302135
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide
CID 43594400
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
CID 114302037
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide
CID 114302198
5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide
CID 62379342
5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 114312742
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-nitrobenzamide
CID 110906535
5-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 82874519
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide
CID 120943472

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide (CID 114302230) is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide is O=C(NC1c2ccccc2CC1Cl)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide?
The InChIKey is LKQGVYFWVWWCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c15-10-7-8-3-1-2-4-9(8)13(10)16-14(18)11-5-6-12(21-11)17(19)20/h1-6,10,13H,7H2,(H,16,18).
What are the key properties of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide?
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide has a molecular weight of 306.71 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 114302230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).