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

C14H12ClN3O4 — CID 42974844

IUPACN-(4-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
SMILESCC(Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O4/c1-9(14(19)17-11-6-4-10(15)5-7-11)22-12-3-2-8-16-13(12)18(20)21/h2-9H,1H3,(H,17,19)
InChIKeyFVGGPPMYFOIOMT-UHFFFAOYSA-N
MW321.72 g/mol
LogP3.05
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide (PubChem CID 42974844) has the molecular formula C14H12ClN3O4 and a molecular weight of 321.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
PubChem CID42974844
Molecular FormulaC14H12ClN3O4
Molecular Weight321.72 g/mol
Exact Mass321.05
IUPAC NameN-(4-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
SMILESCC(Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O4/c1-9(14(19)17-11-6-4-10(15)5-7-11)22-12-3-2-8-16-13(12)18(20)21/h2-9H,1H3,(H,17,19)
InChIKeyFVGGPPMYFOIOMT-UHFFFAOYSA-N
XLogP3.05
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.72
LogP ≤ 53.05
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-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide
CID 18077545
N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
CID 4818098
N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42974842
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658
2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 16959128
N-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42896008
(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)propanamide
CID 41036683
(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 8644554
(2R)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 27968639
(2R)-2-[(2-nitro-3-pyridinyl)oxy]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 8643321
(2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8562600
(2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide
CID 7979689

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide (CID 42974844) is N-(4-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide is CC(Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
The InChIKey is FVGGPPMYFOIOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O4/c1-9(14(19)17-11-6-4-10(15)5-7-11)22-12-3-2-8-16-13(12)18(20)21/h2-9H,1H3,(H,17,19).
What are the key properties of N-(4-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
N-(4-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide has a molecular weight of 321.72 g/mol, XLogP of 3.05, 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-[(2-nitro-3-pyridinyl)oxy]propanamide is sourced from PubChem (CID 42974844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).