N-(5-amino-2-methoxyphenyl)-2,4-dichlorobenzamide

C14H12Cl2N2O2 — CID 823460

IUPACN-(5-amino-2-methoxyphenyl)-2,4-dichlorobenzamide
SMILESCOc1ccc(N)cc1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2O2/c1-20-13-5-3-9(17)7-12(13)18-14(19)10-4-2-8(15)6-11(10)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyPYJAIQMSTWXEGT-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.84
Rot. Bonds3

About N-(5-amino-2-methoxyphenyl)-2,4-dichlorobenzamide

N-(5-amino-2-methoxyphenyl)-2,4-dichlorobenzamide (PubChem CID 823460) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2,4-dichlorobenzamide
PubChem CID823460
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC NameN-(5-amino-2-methoxyphenyl)-2,4-dichlorobenzamide
SMILESCOc1ccc(N)cc1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2O2/c1-20-13-5-3-9(17)7-12(13)18-14(19)10-4-2-8(15)6-11(10)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyPYJAIQMSTWXEGT-UHFFFAOYSA-N
XLogP3.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.84
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 N-(5-amino-2-methoxyphenyl)-2,4-dichlorobenzamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2,4-dichlorobenzamide (CID 823460) is N-(5-amino-2-methoxyphenyl)-2,4-dichlorobenzamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2,4-dichlorobenzamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2,4-dichlorobenzamide is COc1ccc(N)cc1NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2,4-dichlorobenzamide?
The InChIKey is PYJAIQMSTWXEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-20-13-5-3-9(17)7-12(13)18-14(19)10-4-2-8(15)6-11(10)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(5-amino-2-methoxyphenyl)-2,4-dichlorobenzamide?
N-(5-amino-2-methoxyphenyl)-2,4-dichlorobenzamide has a molecular weight of 311.17 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-2,4-dichlorobenzamide is sourced from PubChem (CID 823460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).