3-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide

C16H15ClN2O5 — CID 108790150

IUPAC3-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide
SMILESCOc1ccc(NC(=O)CCOc2ccc(Cl)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15ClN2O5/c1-23-15-7-4-12(10-14(15)19(21)22)18-16(20)8-9-24-13-5-2-11(17)3-6-13/h2-7,10H,8-9H2,1H3,(H,18,20)
InChIKeyRGBRFFLCIFVJHZ-UHFFFAOYSA-N
MW350.76 g/mol
LogP3.66
Rot. Bonds7

About 3-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide

3-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide (PubChem CID 108790150) has the molecular formula C16H15ClN2O5 and a molecular weight of 350.76 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide
PubChem CID108790150
Molecular FormulaC16H15ClN2O5
Molecular Weight350.76 g/mol
Exact Mass350.07
IUPAC Name3-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide
SMILESCOc1ccc(NC(=O)CCOc2ccc(Cl)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15ClN2O5/c1-23-15-7-4-12(10-14(15)19(21)22)18-16(20)8-9-24-13-5-2-11(17)3-6-13/h2-7,10H,8-9H2,1H3,(H,18,20)
InChIKeyRGBRFFLCIFVJHZ-UHFFFAOYSA-N
XLogP3.66
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide
CID 17101974
N-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide
CID 38701334
N-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide
CID 108807182
N-(4-methoxy-3-nitrophenyl)propanamide
CID 2995377
N-(4-methoxyphenyl)-3-(5-methyl-2-nitrophenoxy)propanamide
CID 38763636
N-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 23464321
N-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide
CID 38763807
methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate
CID 108802931
2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide
CID 7991150
N-(3-acetamido-4-chlorophenyl)-3-(4-nitrophenoxy)propanamide
CID 86845100
N-[4-(5-chloro-2-methoxyanilino)phenyl]-3-phenoxypropanamide
CID 112987250
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 29143794

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide?
The IUPAC name of 3-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide (CID 108790150) is 3-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide is COc1ccc(NC(=O)CCOc2ccc(Cl)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 3-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide?
The InChIKey is RGBRFFLCIFVJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5/c1-23-15-7-4-12(10-14(15)19(21)22)18-16(20)8-9-24-13-5-2-11(17)3-6-13/h2-7,10H,8-9H2,1H3,(H,18,20).
What are the key properties of 3-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide?
3-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide has a molecular weight of 350.76 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide is sourced from PubChem (CID 108790150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).