2-[[(2-amino-5-bromophenyl)-phenylmethyl]amino]acetohydrazide

C15H17BrN4O — CID 2870320

IUPAC2-[[(2-amino-5-bromophenyl)-phenylmethyl]amino]acetohydrazide
SMILESNNC(=O)CNC(c1ccccc1)c1cc(Br)ccc1N
InChIInChI=1S/C15H17BrN4O/c16-11-6-7-13(17)12(8-11)15(19-9-14(21)20-18)10-4-2-1-3-5-10/h1-8,15,19H,9,17-18H2,(H,20,21)
InChIKeyBWSIVMVSKXLDLT-UHFFFAOYSA-N
MW349.23 g/mol
LogP1.70
Rot. Bonds5

About 2-[[(2-amino-5-bromophenyl)-phenylmethyl]amino]acetohydrazide

2-[[(2-amino-5-bromophenyl)-phenylmethyl]amino]acetohydrazide (PubChem CID 2870320) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-[[(2-amino-5-bromophenyl)-phenylmethyl]amino]acetohydrazide.

Molecular Properties

Compound Name2-[[(2-amino-5-bromophenyl)-phenylmethyl]amino]acetohydrazide
PubChem CID2870320
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name2-[[(2-amino-5-bromophenyl)-phenylmethyl]amino]acetohydrazide
SMILESNNC(=O)CNC(c1ccccc1)c1cc(Br)ccc1N
InChIInChI=1S/C15H17BrN4O/c16-11-6-7-13(17)12(8-11)15(19-9-14(21)20-18)10-4-2-1-3-5-10/h1-8,15,19H,9,17-18H2,(H,20,21)
InChIKeyBWSIVMVSKXLDLT-UHFFFAOYSA-N
XLogP1.70
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 2-[[(2-amino-5-bromophenyl)-phenylmethyl]amino]acetohydrazide?
The IUPAC name of 2-[[(2-amino-5-bromophenyl)-phenylmethyl]amino]acetohydrazide (CID 2870320) is 2-[[(2-amino-5-bromophenyl)-phenylmethyl]amino]acetohydrazide.
What is the SMILES notation for 2-[[(2-amino-5-bromophenyl)-phenylmethyl]amino]acetohydrazide?
The canonical SMILES for 2-[[(2-amino-5-bromophenyl)-phenylmethyl]amino]acetohydrazide is NNC(=O)CNC(c1ccccc1)c1cc(Br)ccc1N.
What is the InChIKey of 2-[[(2-amino-5-bromophenyl)-phenylmethyl]amino]acetohydrazide?
The InChIKey is BWSIVMVSKXLDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c16-11-6-7-13(17)12(8-11)15(19-9-14(21)20-18)10-4-2-1-3-5-10/h1-8,15,19H,9,17-18H2,(H,20,21).
What are the key properties of 2-[[(2-amino-5-bromophenyl)-phenylmethyl]amino]acetohydrazide?
2-[[(2-amino-5-bromophenyl)-phenylmethyl]amino]acetohydrazide has a molecular weight of 349.23 g/mol, XLogP of 1.70, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-5-bromophenyl)-phenylmethyl]amino]acetohydrazide is sourced from PubChem (CID 2870320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).