N-[2-[(Z)-C-aminocarbonohydrazonoyl]-5-bromo-1-benzofuran-3-yl]benzamide

C16H13BrN4O2 — CID 177442673

IUPACN-[2-[(Z)-C-aminocarbonohydrazonoyl]-5-bromo-1-benzofuran-3-yl]benzamide
SMILESN/N=C(\N)c1oc2ccc(Br)cc2c1NC(=O)c1ccccc1
InChIInChI=1S/C16H13BrN4O2/c17-10-6-7-12-11(8-10)13(14(23-12)15(18)21-19)20-16(22)9-4-2-1-3-5-9/h1-8H,19H2,(H2,18,21)(H,20,22)
InChIKeyMZTHZMGOAXSFRP-UHFFFAOYSA-N
MW373.21 g/mol
LogP3.03
Rot. Bonds3

About N-[2-[(Z)-C-aminocarbonohydrazonoyl]-5-bromo-1-benzofuran-3-yl]benzamide

N-[2-[(Z)-C-aminocarbonohydrazonoyl]-5-bromo-1-benzofuran-3-yl]benzamide (PubChem CID 177442673) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is N-[2-[(Z)-C-aminocarbonohydrazonoyl]-5-bromo-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[(Z)-C-aminocarbonohydrazonoyl]-5-bromo-1-benzofuran-3-yl]benzamide
PubChem CID177442673
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC NameN-[2-[(Z)-C-aminocarbonohydrazonoyl]-5-bromo-1-benzofuran-3-yl]benzamide
SMILESN/N=C(\N)c1oc2ccc(Br)cc2c1NC(=O)c1ccccc1
InChIInChI=1S/C16H13BrN4O2/c17-10-6-7-12-11(8-10)13(14(23-12)15(18)21-19)20-16(22)9-4-2-1-3-5-9/h1-8H,19H2,(H2,18,21)(H,20,22)
InChIKeyMZTHZMGOAXSFRP-UHFFFAOYSA-N
XLogP3.03
TPSA106.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[2-[(Z)-C-aminocarbonohydrazonoyl]-5-bromo-1-benzofuran-3-yl]benzamide?
The IUPAC name of N-[2-[(Z)-C-aminocarbonohydrazonoyl]-5-bromo-1-benzofuran-3-yl]benzamide (CID 177442673) is N-[2-[(Z)-C-aminocarbonohydrazonoyl]-5-bromo-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for N-[2-[(Z)-C-aminocarbonohydrazonoyl]-5-bromo-1-benzofuran-3-yl]benzamide?
The canonical SMILES for N-[2-[(Z)-C-aminocarbonohydrazonoyl]-5-bromo-1-benzofuran-3-yl]benzamide is N/N=C(\N)c1oc2ccc(Br)cc2c1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-[(Z)-C-aminocarbonohydrazonoyl]-5-bromo-1-benzofuran-3-yl]benzamide?
The InChIKey is MZTHZMGOAXSFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c17-10-6-7-12-11(8-10)13(14(23-12)15(18)21-19)20-16(22)9-4-2-1-3-5-9/h1-8H,19H2,(H2,18,21)(H,20,22).
What are the key properties of N-[2-[(Z)-C-aminocarbonohydrazonoyl]-5-bromo-1-benzofuran-3-yl]benzamide?
N-[2-[(Z)-C-aminocarbonohydrazonoyl]-5-bromo-1-benzofuran-3-yl]benzamide has a molecular weight of 373.21 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-C-aminocarbonohydrazonoyl]-5-bromo-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 177442673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).