N-(3-amino-4-methylphenyl)benzamide

C14H14N2O — CID 1120264

IUPACN-(3-amino-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1N
InChIInChI=1S/C14H14N2O/c1-10-7-8-12(9-13(10)15)16-14(17)11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17)
InChIKeyZKMYHZKZDMIROQ-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.83
Rot. Bonds2

About N-(3-amino-4-methylphenyl)benzamide

N-(3-amino-4-methylphenyl)benzamide (PubChem CID 1120264) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)benzamide
PubChem CID1120264
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-(3-amino-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1N
InChIInChI=1S/C14H14N2O/c1-10-7-8-12(9-13(10)15)16-14(17)11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17)
InChIKeyZKMYHZKZDMIROQ-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.83
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 N-(3-amino-4-methylphenyl)benzamide?
The IUPAC name of N-(3-amino-4-methylphenyl)benzamide (CID 1120264) is N-(3-amino-4-methylphenyl)benzamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)benzamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccccc2)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)benzamide?
The InChIKey is ZKMYHZKZDMIROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10-7-8-12(9-13(10)15)16-14(17)11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17).
What are the key properties of N-(3-amino-4-methylphenyl)benzamide?
N-(3-amino-4-methylphenyl)benzamide has a molecular weight of 226.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)benzamide is sourced from PubChem (CID 1120264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).