N-(3-aminophenyl)-N-(4-aminophenyl)formamide

C13H13N3O — CID 174804082

IUPACN-(3-aminophenyl)-N-(4-aminophenyl)formamide
SMILESNc1ccc(N(C=O)c2cccc(N)c2)cc1
InChIInChI=1S/C13H13N3O/c14-10-4-6-12(7-5-10)16(9-17)13-3-1-2-11(15)8-13/h1-9H,14-15H2
InChIKeyBFOZWHBXCUOJDX-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.15
Rot. Bonds3

About N-(3-aminophenyl)-N-(4-aminophenyl)formamide

N-(3-aminophenyl)-N-(4-aminophenyl)formamide (PubChem CID 174804082) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-(4-aminophenyl)formamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-(4-aminophenyl)formamide
PubChem CID174804082
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-(3-aminophenyl)-N-(4-aminophenyl)formamide
SMILESNc1ccc(N(C=O)c2cccc(N)c2)cc1
InChIInChI=1S/C13H13N3O/c14-10-4-6-12(7-5-10)16(9-17)13-3-1-2-11(15)8-13/h1-9H,14-15H2
InChIKeyBFOZWHBXCUOJDX-UHFFFAOYSA-N
XLogP2.15
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-(4-aminophenyl)formamide?
The IUPAC name of N-(3-aminophenyl)-N-(4-aminophenyl)formamide (CID 174804082) is N-(3-aminophenyl)-N-(4-aminophenyl)formamide.
What is the SMILES notation for N-(3-aminophenyl)-N-(4-aminophenyl)formamide?
The canonical SMILES for N-(3-aminophenyl)-N-(4-aminophenyl)formamide is Nc1ccc(N(C=O)c2cccc(N)c2)cc1.
What is the InChIKey of N-(3-aminophenyl)-N-(4-aminophenyl)formamide?
The InChIKey is BFOZWHBXCUOJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-10-4-6-12(7-5-10)16(9-17)13-3-1-2-11(15)8-13/h1-9H,14-15H2.
What are the key properties of N-(3-aminophenyl)-N-(4-aminophenyl)formamide?
N-(3-aminophenyl)-N-(4-aminophenyl)formamide has a molecular weight of 227.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-(4-aminophenyl)formamide is sourced from PubChem (CID 174804082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).