4-amino-N-benzylbenzamide

C14H14N2O — CID 577832

IUPAC4-amino-N-benzylbenzamide
SMILESNc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C14H14N2O/c15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H,16,17)
InChIKeyZWMQLNXGNSNUEO-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.20
Rot. Bonds3

About 4-amino-N-benzylbenzamide

4-amino-N-benzylbenzamide (PubChem CID 577832) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-amino-N-benzylbenzamide.

Molecular Properties

Compound Name4-amino-N-benzylbenzamide
PubChem CID577832
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name4-amino-N-benzylbenzamide
SMILESNc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C14H14N2O/c15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H,16,17)
InChIKeyZWMQLNXGNSNUEO-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzylbenzamide?
The IUPAC name of 4-amino-N-benzylbenzamide (CID 577832) is 4-amino-N-benzylbenzamide.
What is the SMILES notation for 4-amino-N-benzylbenzamide?
The canonical SMILES for 4-amino-N-benzylbenzamide is Nc1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of 4-amino-N-benzylbenzamide?
The InChIKey is ZWMQLNXGNSNUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H,16,17).
What are the key properties of 4-amino-N-benzylbenzamide?
4-amino-N-benzylbenzamide has a molecular weight of 226.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzylbenzamide is sourced from PubChem (CID 577832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).