2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybenzenecarboximidamide

C16H15ClN2O2 — CID 76981546

IUPAC2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(Oc2ccc3c(c2)CCC3)cc1Cl
InChIInChI=1S/C16H15ClN2O2/c17-15-9-13(6-7-14(15)16(18)19-20)21-12-5-4-10-2-1-3-11(10)8-12/h4-9,20H,1-3H2,(H2,18,19)
InChIKeyCOAVCPDBDBIYIN-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.72
Rot. Bonds3

About 2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybenzenecarboximidamide

2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 76981546) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybenzenecarboximidamide
PubChem CID76981546
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(Oc2ccc3c(c2)CCC3)cc1Cl
InChIInChI=1S/C16H15ClN2O2/c17-15-9-13(6-7-14(15)16(18)19-20)21-12-5-4-10-2-1-3-11(10)8-12/h4-9,20H,1-3H2,(H2,18,19)
InChIKeyCOAVCPDBDBIYIN-UHFFFAOYSA-N
XLogP3.72
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybenzenecarboximidamide (CID 76981546) is 2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(Oc2ccc3c(c2)CCC3)cc1Cl.
What is the InChIKey of 2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is COAVCPDBDBIYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-15-9-13(6-7-14(15)16(18)19-20)21-12-5-4-10-2-1-3-11(10)8-12/h4-9,20H,1-3H2,(H2,18,19).
What are the key properties of 2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybenzenecarboximidamide?
2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 302.76 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76981546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).