N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide

C16H15ClN2O6 — CID 7751407

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
SMILESCOc1cc(OC)c(NC(=O)COc2ccccc2[N+](=O)[O-])cc1Cl
InChIInChI=1S/C16H15ClN2O6/c1-23-14-8-15(24-2)11(7-10(14)17)18-16(20)9-25-13-6-4-3-5-12(13)19(21)22/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyDRESQVLNNOQHQV-UHFFFAOYSA-N
MW366.76 g/mol
LogP3.28
Rot. Bonds7

About N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 7751407) has the molecular formula C16H15ClN2O6 and a molecular weight of 366.76 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
PubChem CID7751407
Molecular FormulaC16H15ClN2O6
Molecular Weight366.76 g/mol
Exact Mass366.06
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
SMILESCOc1cc(OC)c(NC(=O)COc2ccccc2[N+](=O)[O-])cc1Cl
InChIInChI=1S/C16H15ClN2O6/c1-23-14-8-15(24-2)11(7-10(14)17)18-16(20)9-25-13-6-4-3-5-12(13)19(21)22/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyDRESQVLNNOQHQV-UHFFFAOYSA-N
XLogP3.28
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.76
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626869
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-nitrophenyl)acetamide
CID 1351291
N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500616
2-(2-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2903228
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 42003289
N-[(4-chloro-3-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1138089
2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 41428663
N-(2-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081
2-(2-chloro-4-phenylphenoxy)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 7653192
2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 17359269
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide (CID 7751407) is N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide is COc1cc(OC)c(NC(=O)COc2ccccc2[N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is DRESQVLNNOQHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O6/c1-23-14-8-15(24-2)11(7-10(14)17)18-16(20)9-25-13-6-4-3-5-12(13)19(21)22/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 366.76 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 7751407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).