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

C10H12ClN3O4 — CID 82864620

IUPAC2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide
SMILESNCCOCC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C10H12ClN3O4/c11-8-5-7(1-2-9(8)14(16)17)13-10(15)6-18-4-3-12/h1-2,5H,3-4,6,12H2,(H,13,15)
InChIKeyQZONOILKYNFARX-UHFFFAOYSA-N
MW273.68 g/mol
LogP1.16
Rot. Bonds6

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

2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide (PubChem CID 82864620) has the molecular formula C10H12ClN3O4 and a molecular weight of 273.68 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide
PubChem CID82864620
Molecular FormulaC10H12ClN3O4
Molecular Weight273.68 g/mol
Exact Mass273.05
IUPAC Name2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide
SMILESNCCOCC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C10H12ClN3O4/c11-8-5-7(1-2-9(8)14(16)17)13-10(15)6-18-4-3-12/h1-2,5H,3-4,6,12H2,(H,13,15)
InChIKeyQZONOILKYNFARX-UHFFFAOYSA-N
XLogP1.16
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 51.16
H-Bond Donors ≤ 52
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-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide
CID 79463983
N-(4-chloro-3-nitrophenyl)-2-(2-methoxyethoxy)acetamide
CID 103606725
ethyl N-(3-chloro-4-nitrophenyl)carbamate
CID 22921588
2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide
CID 79473066
3-[3-(3-chloro-4-nitroanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-4-nitrophenyl)propanamide
CID 3690405
2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide
CID 79473716
2-(1-aminocyclopentyl)-N-(3-chloro-4-nitrophenyl)acetamide
CID 82864692
2-(2-aminoethoxy)-N-(3,5-dichlorophenyl)acetamide
CID 79464434
2-anilino-N-(3-chloro-4-nitrophenyl)acetamide
CID 82865777
2-[2-(3-chloro-4-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 104570274
2-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 104757812
4-amino-N-(4-chloro-3-nitrophenyl)butanamide
CID 43708466

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide (CID 82864620) is 2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide is NCCOCC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide?
The InChIKey is QZONOILKYNFARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O4/c11-8-5-7(1-2-9(8)14(16)17)13-10(15)6-18-4-3-12/h1-2,5H,3-4,6,12H2,(H,13,15).
What are the key properties of 2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide?
2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide has a molecular weight of 273.68 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide is sourced from PubChem (CID 82864620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).