2-anilino-1-benzamidoguanidine

C14H15N5O — CID 154146821

IUPAC2-anilino-1-benzamidoguanidine
SMILESNC(=NNc1ccccc1)NNC(=O)c1ccccc1
InChIInChI=1S/C14H15N5O/c15-14(18-16-12-9-5-2-6-10-12)19-17-13(20)11-7-3-1-4-8-11/h1-10,16H,(H,17,20)(H3,15,18,19)
InChIKeyKZKXOJRHZAEKLC-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.26
Rot. Bonds3

About 2-anilino-1-benzamidoguanidine

2-anilino-1-benzamidoguanidine (PubChem CID 154146821) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-anilino-1-benzamidoguanidine.

Molecular Properties

Compound Name2-anilino-1-benzamidoguanidine
PubChem CID154146821
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-anilino-1-benzamidoguanidine
SMILESNC(=NNc1ccccc1)NNC(=O)c1ccccc1
InChIInChI=1S/C14H15N5O/c15-14(18-16-12-9-5-2-6-10-12)19-17-13(20)11-7-3-1-4-8-11/h1-10,16H,(H,17,20)(H3,15,18,19)
InChIKeyKZKXOJRHZAEKLC-UHFFFAOYSA-N
XLogP1.26
TPSA91.54 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.26
H-Bond Donors ≤ 54
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-benzamidoguanidine?
The IUPAC name of 2-anilino-1-benzamidoguanidine (CID 154146821) is 2-anilino-1-benzamidoguanidine.
What is the SMILES notation for 2-anilino-1-benzamidoguanidine?
The canonical SMILES for 2-anilino-1-benzamidoguanidine is NC(=NNc1ccccc1)NNC(=O)c1ccccc1.
What is the InChIKey of 2-anilino-1-benzamidoguanidine?
The InChIKey is KZKXOJRHZAEKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c15-14(18-16-12-9-5-2-6-10-12)19-17-13(20)11-7-3-1-4-8-11/h1-10,16H,(H,17,20)(H3,15,18,19).
What are the key properties of 2-anilino-1-benzamidoguanidine?
2-anilino-1-benzamidoguanidine has a molecular weight of 269.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-benzamidoguanidine is sourced from PubChem (CID 154146821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).