N-(4-amino-3,5-dichlorophenyl)-4-ethoxy-3-methylbenzamide

C16H16Cl2N2O2 — CID 86938466

IUPACN-(4-amino-3,5-dichlorophenyl)-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1C
InChIInChI=1S/C16H16Cl2N2O2/c1-3-22-14-5-4-10(6-9(14)2)16(21)20-11-7-12(17)15(19)13(18)8-11/h4-8H,3,19H2,1-2H3,(H,20,21)
InChIKeyLWSHZMNLGOEJCZ-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.54
Rot. Bonds4

About N-(4-amino-3,5-dichlorophenyl)-4-ethoxy-3-methylbenzamide

N-(4-amino-3,5-dichlorophenyl)-4-ethoxy-3-methylbenzamide (PubChem CID 86938466) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-4-ethoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-4-ethoxy-3-methylbenzamide
PubChem CID86938466
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1C
InChIInChI=1S/C16H16Cl2N2O2/c1-3-22-14-5-4-10(6-9(14)2)16(21)20-11-7-12(17)15(19)13(18)8-11/h4-8H,3,19H2,1-2H3,(H,20,21)
InChIKeyLWSHZMNLGOEJCZ-UHFFFAOYSA-N
XLogP4.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.54
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

N-(2,6-dichlorophenyl)-4-ethoxy-3-methylbenzamide
CID 30147579
3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide
CID 806791
N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
CID 3894156
4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide
CID 107074269
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide
CID 103221287
2-amino-3-chloro-N-(3-chloro-4-ethoxyphenyl)benzamide
CID 115540160
N-(2-carbamoylphenyl)-4-ethoxy-3-methylbenzamide
CID 95970601
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide
CID 86938312
4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide
CID 30147613

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-4-ethoxy-3-methylbenzamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-4-ethoxy-3-methylbenzamide (CID 86938466) is N-(4-amino-3,5-dichlorophenyl)-4-ethoxy-3-methylbenzamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-4-ethoxy-3-methylbenzamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-4-ethoxy-3-methylbenzamide is CCOc1ccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1C.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-4-ethoxy-3-methylbenzamide?
The InChIKey is LWSHZMNLGOEJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-3-22-14-5-4-10(6-9(14)2)16(21)20-11-7-12(17)15(19)13(18)8-11/h4-8H,3,19H2,1-2H3,(H,20,21).
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-4-ethoxy-3-methylbenzamide?
N-(4-amino-3,5-dichlorophenyl)-4-ethoxy-3-methylbenzamide has a molecular weight of 339.22 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-4-ethoxy-3-methylbenzamide is sourced from PubChem (CID 86938466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).