N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-chlorofuran-3-carboxamide

C14H13ClN2O2 — CID 106688572

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-chlorofuran-3-carboxamide
SMILESNc1ccc2c(c1)CCC2NC(=O)c1ccoc1Cl
InChIInChI=1S/C14H13ClN2O2/c15-13-11(5-6-19-13)14(18)17-12-4-1-8-7-9(16)2-3-10(8)12/h2-3,5-7,12H,1,4,16H2,(H,17,18)
InChIKeySTWQLMCVTIRTGU-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.93
Rot. Bonds2

About N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-chlorofuran-3-carboxamide

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-chlorofuran-3-carboxamide (PubChem CID 106688572) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-chlorofuran-3-carboxamide
PubChem CID106688572
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-chlorofuran-3-carboxamide
SMILESNc1ccc2c(c1)CCC2NC(=O)c1ccoc1Cl
InChIInChI=1S/C14H13ClN2O2/c15-13-11(5-6-19-13)14(18)17-12-4-1-8-7-9(16)2-3-10(8)12/h2-3,5-7,12H,1,4,16H2,(H,17,18)
InChIKeySTWQLMCVTIRTGU-UHFFFAOYSA-N
XLogP2.93
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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)-5-chloro-2-methylbenzamide
CID 82870824
N-(5-amino-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 79741002
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide
CID 79741645
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-2-methylbenzamide
CID 79722653
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 79723212
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 79741279
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-4-methylbenzamide
CID 79723797
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide
CID 79741651
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)-3-bromo-5-chlorobenzamide
CID 107940112
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylbenzamide
CID 79721854

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-chlorofuran-3-carboxamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-chlorofuran-3-carboxamide (CID 106688572) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-chlorofuran-3-carboxamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-chlorofuran-3-carboxamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-chlorofuran-3-carboxamide is Nc1ccc2c(c1)CCC2NC(=O)c1ccoc1Cl.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-chlorofuran-3-carboxamide?
The InChIKey is STWQLMCVTIRTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-13-11(5-6-19-13)14(18)17-12-4-1-8-7-9(16)2-3-10(8)12/h2-3,5-7,12H,1,4,16H2,(H,17,18).
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-chlorofuran-3-carboxamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-chlorofuran-3-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-chlorofuran-3-carboxamide is sourced from PubChem (CID 106688572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).