2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide

C17H18ClN3O4 — CID 4824875

IUPAC2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide
SMILESCN(CCOc1ccc(Cl)cc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H18ClN3O4/c1-20(10-11-25-16-8-2-13(18)3-9-16)12-17(22)19-14-4-6-15(7-5-14)21(23)24/h2-9H,10-12H2,1H3,(H,19,22)
InChIKeyPMXPUWYGMVEWND-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.20
Rot. Bonds8

About 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide (PubChem CID 4824875) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide
PubChem CID4824875
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide
SMILESCN(CCOc1ccc(Cl)cc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H18ClN3O4/c1-20(10-11-25-16-8-2-13(18)3-9-16)12-17(22)19-14-4-6-15(7-5-14)21(23)24/h2-9H,10-12H2,1H3,(H,19,22)
InChIKeyPMXPUWYGMVEWND-UHFFFAOYSA-N
XLogP3.20
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.20
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

4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide
CID 9252422
methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 27250238
N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 9040068
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(4-nitrophenyl)acetamide
CID 9168252
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2,5-difluorophenyl)acetamide
CID 4824878
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-chlorophenoxy)ethyl-methylamino]acetamide
CID 24566477
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
CID 9252524
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide
CID 38763807
2-[[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222930
N-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1416689

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide (CID 4824875) is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide is CN(CCOc1ccc(Cl)cc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide?
The InChIKey is PMXPUWYGMVEWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c1-20(10-11-25-16-8-2-13(18)3-9-16)12-17(22)19-14-4-6-15(7-5-14)21(23)24/h2-9H,10-12H2,1H3,(H,19,22).
What are the key properties of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide?
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide has a molecular weight of 363.80 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 4824875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).