N'-[(2R)-2-amino-2-phenylacetyl]-5-nitrofuran-2-carbohydrazide;hydrochloride

C13H13ClN4O5 — CID 45261685

IUPACN'-[(2R)-2-amino-2-phenylacetyl]-5-nitrofuran-2-carbohydrazide;hydrochloride
SMILESCl.N[C@@H](C(=O)NNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1
InChIInChI=1S/C13H12N4O5.ClH/c14-11(8-4-2-1-3-5-8)13(19)16-15-12(18)9-6-7-10(22-9)17(20)21;/h1-7,11H,14H2,(H,15,18)(H,16,19);1H/t11-;/m1./s1
InChIKeyYOKUDHKJDWZAFR-RFVHGSKJSA-N
MW340.72 g/mol
LogP1.07
Rot. Bonds4

About N'-[(2R)-2-amino-2-phenylacetyl]-5-nitrofuran-2-carbohydrazide;hydrochloride

N'-[(2R)-2-amino-2-phenylacetyl]-5-nitrofuran-2-carbohydrazide;hydrochloride (PubChem CID 45261685) has the molecular formula C13H13ClN4O5 and a molecular weight of 340.72 g/mol. Its IUPAC name is N'-[(2R)-2-amino-2-phenylacetyl]-5-nitrofuran-2-carbohydrazide;hydrochloride.

Molecular Properties

Compound NameN'-[(2R)-2-amino-2-phenylacetyl]-5-nitrofuran-2-carbohydrazide;hydrochloride
PubChem CID45261685
Molecular FormulaC13H13ClN4O5
Molecular Weight340.72 g/mol
Exact Mass340.06
IUPAC NameN'-[(2R)-2-amino-2-phenylacetyl]-5-nitrofuran-2-carbohydrazide;hydrochloride
SMILESCl.N[C@@H](C(=O)NNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1
InChIInChI=1S/C13H12N4O5.ClH/c14-11(8-4-2-1-3-5-8)13(19)16-15-12(18)9-6-7-10(22-9)17(20)21;/h1-7,11H,14H2,(H,15,18)(H,16,19);1H/t11-;/m1./s1
InChIKeyYOKUDHKJDWZAFR-RFVHGSKJSA-N
XLogP1.07
TPSA140.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.72
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-amino-2-phenylacetyl]-5-nitrofuran-2-carbohydrazide;hydrochloride?
The IUPAC name of N'-[(2R)-2-amino-2-phenylacetyl]-5-nitrofuran-2-carbohydrazide;hydrochloride (CID 45261685) is N'-[(2R)-2-amino-2-phenylacetyl]-5-nitrofuran-2-carbohydrazide;hydrochloride.
What is the SMILES notation for N'-[(2R)-2-amino-2-phenylacetyl]-5-nitrofuran-2-carbohydrazide;hydrochloride?
The canonical SMILES for N'-[(2R)-2-amino-2-phenylacetyl]-5-nitrofuran-2-carbohydrazide;hydrochloride is Cl.N[C@@H](C(=O)NNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1.
What is the InChIKey of N'-[(2R)-2-amino-2-phenylacetyl]-5-nitrofuran-2-carbohydrazide;hydrochloride?
The InChIKey is YOKUDHKJDWZAFR-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H12N4O5.ClH/c14-11(8-4-2-1-3-5-8)13(19)16-15-12(18)9-6-7-10(22-9)17(20)21;/h1-7,11H,14H2,(H,15,18)(H,16,19);1H/t11-;/m1./s1.
What are the key properties of N'-[(2R)-2-amino-2-phenylacetyl]-5-nitrofuran-2-carbohydrazide;hydrochloride?
N'-[(2R)-2-amino-2-phenylacetyl]-5-nitrofuran-2-carbohydrazide;hydrochloride has a molecular weight of 340.72 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-amino-2-phenylacetyl]-5-nitrofuran-2-carbohydrazide;hydrochloride is sourced from PubChem (CID 45261685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).