3-amino-N-methyl-N-phenylbenzamide

C14H14N2O — CID 759413

IUPAC3-amino-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(N)c1)c1ccccc1
InChIInChI=1S/C14H14N2O/c1-16(13-8-3-2-4-9-13)14(17)11-6-5-7-12(15)10-11/h2-10H,15H2,1H3
InChIKeyPKOVFFWYXWEFSN-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.55
Rot. Bonds2

About 3-amino-N-methyl-N-phenylbenzamide

3-amino-N-methyl-N-phenylbenzamide (PubChem CID 759413) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-amino-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-phenylbenzamide
PubChem CID759413
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name3-amino-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(N)c1)c1ccccc1
InChIInChI=1S/C14H14N2O/c1-16(13-8-3-2-4-9-13)14(17)11-6-5-7-12(15)10-11/h2-10H,15H2,1H3
InChIKeyPKOVFFWYXWEFSN-UHFFFAOYSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
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 3-amino-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-amino-N-methyl-N-phenylbenzamide (CID 759413) is 3-amino-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-amino-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-amino-N-methyl-N-phenylbenzamide is CN(C(=O)c1cccc(N)c1)c1ccccc1.
What is the InChIKey of 3-amino-N-methyl-N-phenylbenzamide?
The InChIKey is PKOVFFWYXWEFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-16(13-8-3-2-4-9-13)14(17)11-6-5-7-12(15)10-11/h2-10H,15H2,1H3.
What are the key properties of 3-amino-N-methyl-N-phenylbenzamide?
3-amino-N-methyl-N-phenylbenzamide has a molecular weight of 226.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 759413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).