2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide

C19H21ClN2O4 — CID 19629255

IUPAC2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C19H21ClN2O4/c1-4-12(2)14-5-7-15(8-6-14)26-11-19(23)21-17-10-16(20)18(22(24)25)9-13(17)3/h5-10,12H,4,11H2,1-3H3,(H,21,23)
InChIKeyRZYPLFLKFUPUER-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.09
Rot. Bonds7

About 2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide

2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide (PubChem CID 19629255) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide
PubChem CID19629255
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C19H21ClN2O4/c1-4-12(2)14-5-7-15(8-6-14)26-11-19(23)21-17-10-16(20)18(22(24)25)9-13(17)3/h5-10,12H,4,11H2,1-3H3,(H,21,23)
InChIKeyRZYPLFLKFUPUER-UHFFFAOYSA-N
XLogP5.09
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 55.09
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-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 2908402
N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-ethylphenoxy)acetamide
CID 17102201
2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 4959294
N-(5-chloro-2-methyl-4-nitrophenyl)-2-(3-methylphenoxy)acetamide
CID 2909827
2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
CID 22780659
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 40666473
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 40666697
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide
CID 7643302
N-(5-chloro-2-methyl-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104668375
4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide
CID 17102214
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3-nitrophenyl)acetamide
CID 918526
N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 2915919

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide (CID 19629255) is 2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide is CCC(C)c1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide?
The InChIKey is RZYPLFLKFUPUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-4-12(2)14-5-7-15(8-6-14)26-11-19(23)21-17-10-16(20)18(22(24)25)9-13(17)3/h5-10,12H,4,11H2,1-3H3,(H,21,23).
What are the key properties of 2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide?
2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide has a molecular weight of 376.84 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide is sourced from PubChem (CID 19629255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).