2-amino-3-chloro-N-(3-chloro-4-ethoxyphenyl)benzamide

C15H14Cl2N2O2 — CID 115540160

IUPAC2-amino-3-chloro-N-(3-chloro-4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2cccc(Cl)c2N)cc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-2-21-13-7-6-9(8-12(13)17)19-15(20)10-4-3-5-11(16)14(10)18/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyPVXVYNUIFDOZDU-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.23
Rot. Bonds4

About 2-amino-3-chloro-N-(3-chloro-4-ethoxyphenyl)benzamide

2-amino-3-chloro-N-(3-chloro-4-ethoxyphenyl)benzamide (PubChem CID 115540160) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(3-chloro-4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(3-chloro-4-ethoxyphenyl)benzamide
PubChem CID115540160
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name2-amino-3-chloro-N-(3-chloro-4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2cccc(Cl)c2N)cc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-2-21-13-7-6-9(8-12(13)17)19-15(20)10-4-3-5-11(16)14(10)18/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyPVXVYNUIFDOZDU-UHFFFAOYSA-N
XLogP4.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide
CID 107074269
N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
CID 110777433
2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide
CID 115539970
2-bromo-N-(3-chloro-4-ethoxyphenyl)-6-fluorobenzamide
CID 115678420
3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572
2-amino-3-chloro-N-(3-iodophenyl)benzamide
CID 113331655
N-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide
CID 78948622
2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 115539942
3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide
CID 81489227
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928
3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide
CID 103221287
N-(4-amino-3,5-dichlorophenyl)-4-ethoxy-3-methylbenzamide
CID 86938466

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(3-chloro-4-ethoxyphenyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(3-chloro-4-ethoxyphenyl)benzamide (CID 115540160) is 2-amino-3-chloro-N-(3-chloro-4-ethoxyphenyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(3-chloro-4-ethoxyphenyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(3-chloro-4-ethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2cccc(Cl)c2N)cc1Cl.
What is the InChIKey of 2-amino-3-chloro-N-(3-chloro-4-ethoxyphenyl)benzamide?
The InChIKey is PVXVYNUIFDOZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-2-21-13-7-6-9(8-12(13)17)19-15(20)10-4-3-5-11(16)14(10)18/h3-8H,2,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-3-chloro-N-(3-chloro-4-ethoxyphenyl)benzamide?
2-amino-3-chloro-N-(3-chloro-4-ethoxyphenyl)benzamide has a molecular weight of 325.20 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(3-chloro-4-ethoxyphenyl)benzamide is sourced from PubChem (CID 115540160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).