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

C11H13ClN2O4 — CID 8601126

IUPAC(2R)-2-(4-chloro-2-nitrophenoxy)-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13ClN2O4/c1-3-13-11(15)7(2)18-10-5-4-8(12)6-9(10)14(16)17/h4-7H,3H2,1-2H3,(H,13,15)/t7-/m1/s1
InChIKeyGVTUPSFYHJWTSY-SSDOTTSWSA-N
MW272.69 g/mol
LogP2.15
Rot. Bonds5

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

(2R)-2-(4-chloro-2-nitrophenoxy)-N-ethylpropanamide (PubChem CID 8601126) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is (2R)-2-(4-chloro-2-nitrophenoxy)-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-2-nitrophenoxy)-N-ethylpropanamide
PubChem CID8601126
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Name(2R)-2-(4-chloro-2-nitrophenoxy)-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13ClN2O4/c1-3-13-11(15)7(2)18-10-5-4-8(12)6-9(10)14(16)17/h4-7H,3H2,1-2H3,(H,13,15)/t7-/m1/s1
InChIKeyGVTUPSFYHJWTSY-SSDOTTSWSA-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

methyl 2-(4-chloro-2-nitrophenoxy)propanoate
CID 54941361
(2R)-2-[2-(4-chloro-2-nitrophenoxy)propanoylamino]propanoic acid
CID 119369892
(2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide
CID 7979689
(2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide
CID 9410254
2-(4-chloro-2-nitrophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119440840
2-(3-chloro-4-nitrophenoxy)-N-ethylpropanamide
CID 78977364
(2S)-2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylbutyl]propanamide
CID 9484979
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2-nitrophenoxy)propanamide
CID 8569316
(2S)-2-(4-chloro-2-nitrophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 7990907
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride
CID 119600299
3-nitro-4-[1-oxo-1-(propylamino)propan-2-yl]oxybenzoic acid
CID 43216807
2-(4-chloro-2-nitrophenoxy)butanoate
CID 57346613

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-2-nitrophenoxy)-N-ethylpropanamide?
The IUPAC name of (2R)-2-(4-chloro-2-nitrophenoxy)-N-ethylpropanamide (CID 8601126) is (2R)-2-(4-chloro-2-nitrophenoxy)-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-(4-chloro-2-nitrophenoxy)-N-ethylpropanamide?
The canonical SMILES for (2R)-2-(4-chloro-2-nitrophenoxy)-N-ethylpropanamide is CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of (2R)-2-(4-chloro-2-nitrophenoxy)-N-ethylpropanamide?
The InChIKey is GVTUPSFYHJWTSY-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-3-13-11(15)7(2)18-10-5-4-8(12)6-9(10)14(16)17/h4-7H,3H2,1-2H3,(H,13,15)/t7-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-2-nitrophenoxy)-N-ethylpropanamide?
(2R)-2-(4-chloro-2-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 (2R)-2-(4-chloro-2-nitrophenoxy)-N-ethylpropanamide is sourced from PubChem (CID 8601126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).