N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide

C₁₅H₁₃Cl₂FN₂O — CID 81453152

About N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide

N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide (PubChem CID 81453152) has the molecular formula C₁₅H₁₃Cl₂FN₂O and a molecular weight of 327.19 g/mol. Its IUPAC name is N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide.

Molecular Properties

• Compound Name: N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
• PubChem CID: 81453152
• Molecular Formula: C₁₅H₁₃Cl₂FN₂O
• Molecular Weight: 327.19 g/mol
• Exact Mass: 326.04
• IUPAC Name: N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
• SMILES: CN(Cc1cc(N)ccc1Cl)C(=O)c1cccc(F)c1Cl
• InChI: InChI=1S/C15H13Cl2FN2O/c1-20(8-9-7-10(19)5-6-12(9)16)15(21)11-3-2-4-13(18)14(11)17/h2-7H,8,19H2,1H3
• InChIKey: BEWKWLWQXDQBQR-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 46.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.19
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide?

The IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide (CID 81453152) is N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide.

What is the SMILES notation for N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide?

The canonical SMILES for N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide is CN(Cc1cc(N)ccc1Cl)C(=O)c1cccc(F)c1Cl.

What is the InChIKey of N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide?

The InChIKey is BEWKWLWQXDQBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c1-20(8-9-7-10(19)5-6-12(9)16)15(21)11-3-2-4-13(18)14(11)17/h2-7H,8,19H2,1H3.

What are the key properties of N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide?

N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide has a molecular weight of 327.19 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 81453152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 81453152 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.