3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide

C16H15ClN2O4 — CID 108802892

IUPAC3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CCOc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O4/c1-11-2-5-13(19(21)22)10-15(11)18-16(20)8-9-23-14-6-3-12(17)4-7-14/h2-7,10H,8-9H2,1H3,(H,18,20)
InChIKeyLHGSPADANUIRJR-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.96
Rot. Bonds6

About 3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide

3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide (PubChem CID 108802892) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
PubChem CID108802892
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CCOc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O4/c1-11-2-5-13(19(21)22)10-15(11)18-16(20)8-9-23-14-6-3-12(17)4-7-14/h2-7,10H,8-9H2,1H3,(H,18,20)
InChIKeyLHGSPADANUIRJR-UHFFFAOYSA-N
XLogP3.96
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.96
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-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide
CID 38770498
N-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide
CID 38763807
3-chloro-N-(2-methyl-5-nitrophenyl)propanamide
CID 4159134
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 695153
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 720864
2-(4-chloro-3-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 883750
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 918188
2-(4-iodophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 55326089
N-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide
CID 108795459
3-(2,6-dimethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 52696119
4-butoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 2246098

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
The IUPAC name of 3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide (CID 108802892) is 3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)CCOc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
The InChIKey is LHGSPADANUIRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-11-2-5-13(19(21)22)10-15(11)18-16(20)8-9-23-14-6-3-12(17)4-7-14/h2-7,10H,8-9H2,1H3,(H,18,20).
What are the key properties of 3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide has a molecular weight of 334.76 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide is sourced from PubChem (CID 108802892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).