N-[(3,4-dichlorophenyl)-hydrazinylcarbamoyl]benzamide

C14H12Cl2N4O2 — CID 151064395

IUPACN-[(3,4-dichlorophenyl)-hydrazinylcarbamoyl]benzamide
SMILESNNN(C(=O)NC(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N4O2/c15-11-7-6-10(8-12(11)16)20(19-17)14(22)18-13(21)9-4-2-1-3-5-9/h1-8,19H,17H2,(H,18,21,22)
InChIKeyMGVGHZZPNRFDLV-UHFFFAOYSA-N
MW339.18 g/mol
LogP2.73
Rot. Bonds3

About N-[(3,4-dichlorophenyl)-hydrazinylcarbamoyl]benzamide

N-[(3,4-dichlorophenyl)-hydrazinylcarbamoyl]benzamide (PubChem CID 151064395) has the molecular formula C14H12Cl2N4O2 and a molecular weight of 339.18 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)-hydrazinylcarbamoyl]benzamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)-hydrazinylcarbamoyl]benzamide
PubChem CID151064395
Molecular FormulaC14H12Cl2N4O2
Molecular Weight339.18 g/mol
Exact Mass338.03
IUPAC NameN-[(3,4-dichlorophenyl)-hydrazinylcarbamoyl]benzamide
SMILESNNN(C(=O)NC(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N4O2/c15-11-7-6-10(8-12(11)16)20(19-17)14(22)18-13(21)9-4-2-1-3-5-9/h1-8,19H,17H2,(H,18,21,22)
InChIKeyMGVGHZZPNRFDLV-UHFFFAOYSA-N
XLogP2.73
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-[(3,4-dichlorophenyl)-hydrazinylcarbamoyl]benzamide?
The IUPAC name of N-[(3,4-dichlorophenyl)-hydrazinylcarbamoyl]benzamide (CID 151064395) is N-[(3,4-dichlorophenyl)-hydrazinylcarbamoyl]benzamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)-hydrazinylcarbamoyl]benzamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)-hydrazinylcarbamoyl]benzamide is NNN(C(=O)NC(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)-hydrazinylcarbamoyl]benzamide?
The InChIKey is MGVGHZZPNRFDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O2/c15-11-7-6-10(8-12(11)16)20(19-17)14(22)18-13(21)9-4-2-1-3-5-9/h1-8,19H,17H2,(H,18,21,22).
What are the key properties of N-[(3,4-dichlorophenyl)-hydrazinylcarbamoyl]benzamide?
N-[(3,4-dichlorophenyl)-hydrazinylcarbamoyl]benzamide has a molecular weight of 339.18 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)-hydrazinylcarbamoyl]benzamide is sourced from PubChem (CID 151064395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).