2-(4-chloro-2-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide

C17H17ClN2O5 — CID 9484953

IUPAC2-(4-chloro-2-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCNC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c1
InChIInChI=1S/C17H17ClN2O5/c1-12-3-2-4-14(9-12)24-8-7-19-17(21)11-25-16-6-5-13(18)10-15(16)20(22)23/h2-6,9-10H,7-8,11H2,1H3,(H,19,21)
InChIKeyQBZWAOPPFDQDRF-UHFFFAOYSA-N
MW364.79 g/mol
LogP3.13
Rot. Bonds8

About 2-(4-chloro-2-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide

2-(4-chloro-2-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide (PubChem CID 9484953) has the molecular formula C17H17ClN2O5 and a molecular weight of 364.79 g/mol. Its IUPAC name is 2-(4-chloro-2-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
PubChem CID9484953
Molecular FormulaC17H17ClN2O5
Molecular Weight364.79 g/mol
Exact Mass364.08
IUPAC Name2-(4-chloro-2-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCNC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c1
InChIInChI=1S/C17H17ClN2O5/c1-12-3-2-4-14(9-12)24-8-7-19-17(21)11-25-16-6-5-13(18)10-15(16)20(22)23/h2-6,9-10H,7-8,11H2,1H3,(H,19,21)
InChIKeyQBZWAOPPFDQDRF-UHFFFAOYSA-N
XLogP3.13
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 40751132
2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31880593
N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide
CID 7979841
2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9372061
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide
CID 26903383
2-(4-chloro-2-methylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174022
3-(3-methylphenoxy)-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
CID 43005484
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 29385690
2-(4-chloro-2-nitrophenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7991036
2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31525310
2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 100547759

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide (CID 9484953) is 2-(4-chloro-2-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide is Cc1cccc(OCCNC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c1.
What is the InChIKey of 2-(4-chloro-2-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The InChIKey is QBZWAOPPFDQDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5/c1-12-3-2-4-14(9-12)24-8-7-19-17(21)11-25-16-6-5-13(18)10-15(16)20(22)23/h2-6,9-10H,7-8,11H2,1H3,(H,19,21).
What are the key properties of 2-(4-chloro-2-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide?
2-(4-chloro-2-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide has a molecular weight of 364.79 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 9484953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).