2-(3-chloro-4-nitrophenoxy)-N-ethylpropanamide

C11H13ClN2O4 — CID 78977364

IUPAC2-(3-chloro-4-nitrophenoxy)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C11H13ClN2O4/c1-3-13-11(15)7(2)18-8-4-5-10(14(16)17)9(12)6-8/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyGUSMHGWDZGZLBB-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.15
Rot. Bonds5

About 2-(3-chloro-4-nitrophenoxy)-N-ethylpropanamide

2-(3-chloro-4-nitrophenoxy)-N-ethylpropanamide (PubChem CID 78977364) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-(3-chloro-4-nitrophenoxy)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(3-chloro-4-nitrophenoxy)-N-ethylpropanamide
PubChem CID78977364
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Name2-(3-chloro-4-nitrophenoxy)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C11H13ClN2O4/c1-3-13-11(15)7(2)18-8-4-5-10(14(16)17)9(12)6-8/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyGUSMHGWDZGZLBB-UHFFFAOYSA-N
XLogP2.15
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-chloro-4-nitrophenoxy)-N-ethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-4-nitrophenoxy)-N-prop-2-ynylpropanamide
CID 79823310
N-ethyl-2-(4-nitrophenoxy)propanamide
CID 4951333
(2R)-2-(4-chloro-2-nitrophenoxy)-N-ethylpropanamide
CID 8601126
(2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide
CID 9410254
2-nitro-5-[1-oxo-1-(propylamino)propan-2-yl]oxybenzoic acid
CID 102739601
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-chloro-3-nitrobenzoate
CID 9412485
2-(3-chloro-4-nitrophenoxy)butanamide
CID 62899545
2-(3-fluoro-4-nitrophenoxy)-N-(3-methylbutyl)propanamide
CID 79827324
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119505468
N-[[4-(3-chloro-4-nitrophenoxy)phenyl]methyl]ethanamine
CID 62113618
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-chloro-5-nitrobenzoate
CID 9414718
(2R)-N-(2-chlorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384201

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-nitrophenoxy)-N-ethylpropanamide?
The IUPAC name of 2-(3-chloro-4-nitrophenoxy)-N-ethylpropanamide (CID 78977364) is 2-(3-chloro-4-nitrophenoxy)-N-ethylpropanamide.
What is the SMILES notation for 2-(3-chloro-4-nitrophenoxy)-N-ethylpropanamide?
The canonical SMILES for 2-(3-chloro-4-nitrophenoxy)-N-ethylpropanamide is CCNC(=O)C(C)Oc1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-nitrophenoxy)-N-ethylpropanamide?
The InChIKey is GUSMHGWDZGZLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-3-13-11(15)7(2)18-8-4-5-10(14(16)17)9(12)6-8/h4-7H,3H2,1-2H3,(H,13,15).
What are the key properties of 2-(3-chloro-4-nitrophenoxy)-N-ethylpropanamide?
2-(3-chloro-4-nitrophenoxy)-N-ethylpropanamide has a molecular weight of 272.69 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-nitrophenoxy)-N-ethylpropanamide is sourced from PubChem (CID 78977364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).