3-amino-4-methoxy-N-phenylbenzamide

C14H14N2O2 — CID 8426

IUPAC3-amino-4-methoxy-N-phenylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2)cc1N
InChIInChI=1S/C14H14N2O2/c1-18-13-8-7-10(9-12(13)15)14(17)16-11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17)
InChIKeyLHMQDVIHBXWNII-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.53
Rot. Bonds3

About 3-amino-4-methoxy-N-phenylbenzamide

3-amino-4-methoxy-N-phenylbenzamide (PubChem CID 8426) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-phenylbenzamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-phenylbenzamide
PubChem CID8426
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-amino-4-methoxy-N-phenylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2)cc1N
InChIInChI=1S/C14H14N2O2/c1-18-13-8-7-10(9-12(13)15)14(17)16-11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17)
InChIKeyLHMQDVIHBXWNII-UHFFFAOYSA-N
XLogP2.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-4-methoxy-N-phenylbenzamide?
The IUPAC name of 3-amino-4-methoxy-N-phenylbenzamide (CID 8426) is 3-amino-4-methoxy-N-phenylbenzamide.
What is the SMILES notation for 3-amino-4-methoxy-N-phenylbenzamide?
The canonical SMILES for 3-amino-4-methoxy-N-phenylbenzamide is COc1ccc(C(=O)Nc2ccccc2)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-phenylbenzamide?
The InChIKey is LHMQDVIHBXWNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-18-13-8-7-10(9-12(13)15)14(17)16-11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-4-methoxy-N-phenylbenzamide?
3-amino-4-methoxy-N-phenylbenzamide has a molecular weight of 242.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-phenylbenzamide is sourced from PubChem (CID 8426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).