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

C11H13ClN2O4 — CID 9410254

IUPAC(2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H13ClN2O4/c1-3-13-11(15)7(2)18-10-5-4-8(14(16)17)6-9(10)12/h4-7H,3H2,1-2H3,(H,13,15)/t7-/m0/s1
InChIKeyNWRSFRMVXCTKFZ-ZETCQYMHSA-N
MW272.69 g/mol
LogP2.15
Rot. Bonds5

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

(2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide (PubChem CID 9410254) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is (2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide
PubChem CID9410254
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Name(2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H13ClN2O4/c1-3-13-11(15)7(2)18-10-5-4-8(14(16)17)6-9(10)12/h4-7H,3H2,1-2H3,(H,13,15)/t7-/m0/s1
InChIKeyNWRSFRMVXCTKFZ-ZETCQYMHSA-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'}

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Related Compounds

N-ethyl-2-[2-(methylaminomethyl)-4-nitrophenoxy]propanamide
CID 43472642
N-ethyl-2-[2-(ethylaminomethyl)-4-nitrophenoxy]propanamide
CID 43472697
2-(2-chloro-4-nitrophenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 18092049
(2R)-2-(4-chloro-2-nitrophenoxy)-N-ethylpropanamide
CID 8601126
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7865944
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-chloro-5-nitrobenzoate
CID 9414718
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 8956882
N-ethyl-2-(4-nitrophenoxy)propanamide
CID 4951333
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 7865912
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)propanamide
CID 8956892
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8956878
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 8956846

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide?
The IUPAC name of (2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide (CID 9410254) is (2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide?
The canonical SMILES for (2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide is CCNC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of (2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide?
The InChIKey is NWRSFRMVXCTKFZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-3-13-11(15)7(2)18-10-5-4-8(14(16)17)6-9(10)12/h4-7H,3H2,1-2H3,(H,13,15)/t7-/m0/s1.
What are the key properties of (2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide?
(2S)-2-(2-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 (2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide is sourced from PubChem (CID 9410254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).