N-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide

C16H15ClN2O5 — CID 1406923

IUPACN-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C16H15ClN2O5/c1-10-7-12(4-5-14(10)19(21)22)24-9-16(20)18-13-8-11(17)3-6-15(13)23-2/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyRMTXOGIYAJFWGW-UHFFFAOYSA-N
MW350.76 g/mol
LogP3.58
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide (PubChem CID 1406923) has the molecular formula C16H15ClN2O5 and a molecular weight of 350.76 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
PubChem CID1406923
Molecular FormulaC16H15ClN2O5
Molecular Weight350.76 g/mol
Exact Mass350.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C16H15ClN2O5/c1-10-7-12(4-5-14(10)19(21)22)24-9-16(20)18-13-8-11(17)3-6-15(13)23-2/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyRMTXOGIYAJFWGW-UHFFFAOYSA-N
XLogP3.58
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 8648202
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406721
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770646
2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 31728423
2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide
CID 30156679
2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 8709034
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-methyl-6-nitrobenzoate
CID 33347999
N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472
N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78765457
N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 30156711
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626869

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide (CID 1406923) is N-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide is COc1ccc(Cl)cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide?
The InChIKey is RMTXOGIYAJFWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5/c1-10-7-12(4-5-14(10)19(21)22)24-9-16(20)18-13-8-11(17)3-6-15(13)23-2/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide has a molecular weight of 350.76 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide is sourced from PubChem (CID 1406923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).