N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide

C15H14Cl2N2O3 — CID 50883336

IUPACN-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide
SMILESCOc1ccc(N)cc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O3/c1-21-13-4-3-9(18)7-12(13)19-15(20)8-5-10(16)14(22-2)11(17)6-8/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyGVHSLEJHZWPHQH-UHFFFAOYSA-N
MW341.19 g/mol
LogP3.85
Rot. Bonds4

About N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide

N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide (PubChem CID 50883336) has the molecular formula C15H14Cl2N2O3 and a molecular weight of 341.19 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide
PubChem CID50883336
Molecular FormulaC15H14Cl2N2O3
Molecular Weight341.19 g/mol
Exact Mass340.04
IUPAC NameN-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide
SMILESCOc1ccc(N)cc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O3/c1-21-13-4-3-9(18)7-12(13)19-15(20)8-5-10(16)14(22-2)11(17)6-8/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyGVHSLEJHZWPHQH-UHFFFAOYSA-N
XLogP3.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-bromophenyl)-3,5-dichloro-4-methoxybenzamide
CID 100829828
N-(5-amino-2-methoxyphenyl)-3,5-dibromobenzamide
CID 107970875
N-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide
CID 16774665
4-amino-3,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 82812467
N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide
CID 120568311
N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide
CID 120569162
4-amino-3,5-dichloro-N-(2-methoxyphenyl)benzamide
CID 82792962
N-(5-amino-2-methoxyphenyl)-3-bromobenzamide
CID 24699431
N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide
CID 120568985
N-(2-amino-5-chloro-4-methylphenyl)-3,5-dichloro-4-methoxybenzamide
CID 91687685
N-(4-amino-2-chlorophenyl)-3-fluoro-4-methoxybenzamide
CID 62918843
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
CID 100803251

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide (CID 50883336) is N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide is COc1ccc(N)cc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide?
The InChIKey is GVHSLEJHZWPHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3/c1-21-13-4-3-9(18)7-12(13)19-15(20)8-5-10(16)14(22-2)11(17)6-8/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide?
N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide has a molecular weight of 341.19 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide is sourced from PubChem (CID 50883336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).