3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide

C11H13ClN2O4 — CID 4644339

IUPAC3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCCl)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13ClN2O4/c1-2-18-8-3-4-9(10(7-8)14(16)17)13-11(15)5-6-12/h3-4,7H,2,5-6H2,1H3,(H,13,15)
InChIKeyNJIJRIKZBCEGSM-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.56
Rot. Bonds6

About 3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide

3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide (PubChem CID 4644339) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is 3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
PubChem CID4644339
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Name3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCCl)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13ClN2O4/c1-2-18-8-3-4-9(10(7-8)14(16)17)13-11(15)5-6-12/h3-4,7H,2,5-6H2,1H3,(H,13,15)
InChIKeyNJIJRIKZBCEGSM-UHFFFAOYSA-N
XLogP2.56
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
N-(4-ethoxy-2-nitrophenyl)pentanamide
CID 4295410
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934
3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933888
4-(4-ethoxy-2-nitroanilino)-4-oxobut-2-enoate
CID 7175755
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 4079901
3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
CID 2975661
N-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19541775
2-(2-chloro-5-methylphenoxy)-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 46786988
2-(diethylamino)-4-(4-ethoxy-2-nitroanilino)-4-oxobutanoic acid
CID 18886251

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide?
The IUPAC name of 3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide (CID 4644339) is 3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide.
What is the SMILES notation for 3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide?
The canonical SMILES for 3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide is CCOc1ccc(NC(=O)CCCl)c([N+](=O)[O-])c1.
What is the InChIKey of 3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide?
The InChIKey is NJIJRIKZBCEGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-2-18-8-3-4-9(10(7-8)14(16)17)13-11(15)5-6-12/h3-4,7H,2,5-6H2,1H3,(H,13,15).
What are the key properties of 3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide?
3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide has a molecular weight of 272.69 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide is sourced from PubChem (CID 4644339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).