N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide

C15H14ClN3O4 — CID 4818098

IUPACN-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])n1
InChIInChI=1S/C15H14ClN3O4/c1-9-3-8-13(14(17-9)19(21)22)23-10(2)15(20)18-12-6-4-11(16)5-7-12/h3-8,10H,1-2H3,(H,18,20)
InChIKeyDDSCXRUXPMIFGH-UHFFFAOYSA-N
MW335.75 g/mol
LogP3.36
Rot. Bonds5

About N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide

N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide (PubChem CID 4818098) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
PubChem CID4818098
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC NameN-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])n1
InChIInChI=1S/C15H14ClN3O4/c1-9-3-8-13(14(17-9)19(21)22)23-10(2)15(20)18-12-6-4-11(16)5-7-12/h3-8,10H,1-2H3,(H,18,20)
InChIKeyDDSCXRUXPMIFGH-UHFFFAOYSA-N
XLogP3.36
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 53.36
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

N-(4-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42974844
(2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8562600
N-(3-cyanophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
CID 4964242
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658
(2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide
CID 7979689
N-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
CID 4817886
2-(2-bromo-4-chlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 4981359
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 1293039
2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide
CID 18077545
(2S)-N-(4-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94019096
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7865944
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide (CID 4818098) is N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide is Cc1ccc(OC(C)C(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])n1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide?
The InChIKey is DDSCXRUXPMIFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c1-9-3-8-13(14(17-9)19(21)22)23-10(2)15(20)18-12-6-4-11(16)5-7-12/h3-8,10H,1-2H3,(H,18,20).
What are the key properties of N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide?
N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide has a molecular weight of 335.75 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide is sourced from PubChem (CID 4818098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).