N-(4-chloro-3-nitrophenyl)-2-(2-methoxyethoxy)acetamide

C11H13ClN2O5 — CID 103606725

IUPACN-(4-chloro-3-nitrophenyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13ClN2O5/c1-18-4-5-19-7-11(15)13-8-2-3-9(12)10(6-8)14(16)17/h2-3,6H,4-5,7H2,1H3,(H,13,15)
InChIKeyAEHSRHFGUCGWEQ-UHFFFAOYSA-N
MW288.69 g/mol
LogP1.85
Rot. Bonds7

About N-(4-chloro-3-nitrophenyl)-2-(2-methoxyethoxy)acetamide

N-(4-chloro-3-nitrophenyl)-2-(2-methoxyethoxy)acetamide (PubChem CID 103606725) has the molecular formula C11H13ClN2O5 and a molecular weight of 288.69 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-(2-methoxyethoxy)acetamide
PubChem CID103606725
Molecular FormulaC11H13ClN2O5
Molecular Weight288.69 g/mol
Exact Mass288.05
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13ClN2O5/c1-18-4-5-19-7-11(15)13-8-2-3-9(12)10(6-8)14(16)17/h2-3,6H,4-5,7H2,1H3,(H,13,15)
InChIKeyAEHSRHFGUCGWEQ-UHFFFAOYSA-N
XLogP1.85
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 51.85
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

N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
3-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-1-methylurea
CID 47324672
2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide
CID 82864620
methyl 2-[4-[2-(4-chloro-3-nitroanilino)-2-oxoethoxy]phenyl]acetate
CID 7695259
N,N'-bis(4-chloro-3-nitrophenyl)decanediamide
CID 17080083
methyl 2-(4-chloro-3-nitroanilino)-2-oxoacetate
CID 103601678
N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide
CID 35987063
2-amino-N-(4-chloro-3-nitrophenyl)-5-methoxypentanamide
CID 81082778
2-methoxyethyl 4-[(4-chloro-3-nitrophenyl)carbamothioylamino]-4-oxobutanoate
CID 17338793
[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-nitrobenzoate
CID 2619683
N-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide
CID 19173108
2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 1185944

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(2-methoxyethoxy)acetamide (CID 103606725) is N-(4-chloro-3-nitrophenyl)-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-(2-methoxyethoxy)acetamide?
The InChIKey is AEHSRHFGUCGWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O5/c1-18-4-5-19-7-11(15)13-8-2-3-9(12)10(6-8)14(16)17/h2-3,6H,4-5,7H2,1H3,(H,13,15).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-(2-methoxyethoxy)acetamide?
N-(4-chloro-3-nitrophenyl)-2-(2-methoxyethoxy)acetamide has a molecular weight of 288.69 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 103606725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).