2-(4-chlorophenoxy)-2-methyl-N-(2-methyl-5-nitrophenyl)propanamide

C17H17ClN2O4 — CID 888330

IUPAC2-(4-chlorophenoxy)-2-methyl-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O4/c1-11-4-7-13(20(22)23)10-15(11)19-16(21)17(2,3)24-14-8-5-12(18)6-9-14/h4-10H,1-3H3,(H,19,21)
InChIKeyQSOORNXWAROILC-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.35
Rot. Bonds5

About 2-(4-chlorophenoxy)-2-methyl-N-(2-methyl-5-nitrophenyl)propanamide

2-(4-chlorophenoxy)-2-methyl-N-(2-methyl-5-nitrophenyl)propanamide (PubChem CID 888330) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-(2-methyl-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-(2-methyl-5-nitrophenyl)propanamide
PubChem CID888330
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O4/c1-11-4-7-13(20(22)23)10-15(11)19-16(21)17(2,3)24-14-8-5-12(18)6-9-14/h4-10H,1-3H3,(H,19,21)
InChIKeyQSOORNXWAROILC-UHFFFAOYSA-N
XLogP4.35
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide
CID 2934377
2-(4-chlorophenoxy)-2-methyl-N-(2-methylphenyl)propanamide
CID 2184934
3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 108802892
2-(4-chlorophenoxy)-N-(4-iodo-2-methylphenyl)-2-methylpropanamide
CID 1257164
1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea
CID 5122789
3-(4-chlorophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 898455
2-(4-chlorophenoxy)-N-methoxy-2-methylpropanamide
CID 51279285
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)-2-methylpropanamide
CID 3657024
5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 828117
2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide
CID 2957470
2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 17046256
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 720864

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(2-methyl-5-nitrophenyl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(2-methyl-5-nitrophenyl)propanamide (CID 888330) is 2-(4-chlorophenoxy)-2-methyl-N-(2-methyl-5-nitrophenyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-(2-methyl-5-nitrophenyl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-(2-methyl-5-nitrophenyl)propanamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-(2-methyl-5-nitrophenyl)propanamide?
The InChIKey is QSOORNXWAROILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-11-4-7-13(20(22)23)10-15(11)19-16(21)17(2,3)24-14-8-5-12(18)6-9-14/h4-10H,1-3H3,(H,19,21).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-(2-methyl-5-nitrophenyl)propanamide?
2-(4-chlorophenoxy)-2-methyl-N-(2-methyl-5-nitrophenyl)propanamide has a molecular weight of 348.79 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-(2-methyl-5-nitrophenyl)propanamide is sourced from PubChem (CID 888330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).