2-(2-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide

C17H17ClN2O4 — CID 46771310

IUPAC2-(2-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C17H17ClN2O4/c1-3-15(24-16-7-5-4-6-13(16)18)17(21)19-14-10-12(20(22)23)9-8-11(14)2/h4-10,15H,3H2,1-2H3,(H,19,21)
InChIKeyMSGNWLCCEKZORC-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.35
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide

2-(2-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide (PubChem CID 46771310) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
PubChem CID46771310
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name2-(2-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C17H17ClN2O4/c1-3-15(24-16-7-5-4-6-13(16)18)17(21)19-14-10-12(20(22)23)9-8-11(14)2/h4-10,15H,3H2,1-2H3,(H,19,21)
InChIKeyMSGNWLCCEKZORC-UHFFFAOYSA-N
XLogP4.35
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.35
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

(2R)-N-(2-chloro-5-nitrophenyl)-2-(2-methylphenoxy)butanamide
CID 92684102
2-(2,3-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
CID 46763828
2-(2,4-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
CID 132652338
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide
CID 4949937
(2R)-2-(2-chlorophenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 30396975
(2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide
CID 30393331
(2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 99951167
(2R)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573433
(2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573436
(2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
CID 92647108
(2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 9173655
N-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide
CID 2931263

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide (CID 46771310) is 2-(2-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide is CCC(Oc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide?
The InChIKey is MSGNWLCCEKZORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-3-15(24-16-7-5-4-6-13(16)18)17(21)19-14-10-12(20(22)23)9-8-11(14)2/h4-10,15H,3H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide?
2-(2-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide has a molecular weight of 348.79 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide is sourced from PubChem (CID 46771310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).