N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-nitrophenoxy)acetamide

C16H15ClN2O5 — CID 1189117

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-nitrophenoxy)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15ClN2O5/c1-10-7-12(15(23-2)8-11(10)17)18-16(20)9-24-14-6-4-3-5-13(14)19(21)22/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyMTZRTRATZCKSMF-UHFFFAOYSA-N
MW350.76 g/mol
LogP3.58
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-nitrophenoxy)acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 1189117) has the molecular formula C16H15ClN2O5 and a molecular weight of 350.76 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-nitrophenoxy)acetamide
PubChem CID1189117
Molecular FormulaC16H15ClN2O5
Molecular Weight350.76 g/mol
Exact Mass350.07
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-nitrophenoxy)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15ClN2O5/c1-10-7-12(15(23-2)8-11(10)17)18-16(20)9-24-14-6-4-3-5-13(14)19(21)22/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyMTZRTRATZCKSMF-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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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-nitrophenoxy)acetamide (CID 1189117) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-nitrophenoxy)acetamide is COc1cc(Cl)c(C)cc1NC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is MTZRTRATZCKSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5/c1-10-7-12(15(23-2)8-11(10)17)18-16(20)9-24-14-6-4-3-5-13(14)19(21)22/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-nitrophenoxy)acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-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-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 1189117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).