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

C14H12ClN3O4 — CID 4556813

IUPACN-(3-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
SMILESCC(Oc1cccnc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H12ClN3O4/c1-9(14(19)17-11-5-2-4-10(15)8-11)22-12-6-3-7-16-13(12)18(20)21/h2-9H,1H3,(H,17,19)
InChIKeyDTZSAHGJJCNDQK-UHFFFAOYSA-N
MW321.72 g/mol
LogP3.05
Rot. Bonds5

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

N-(3-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide (PubChem CID 4556813) has the molecular formula C14H12ClN3O4 and a molecular weight of 321.72 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
PubChem CID4556813
Molecular FormulaC14H12ClN3O4
Molecular Weight321.72 g/mol
Exact Mass321.05
IUPAC NameN-(3-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
SMILESCC(Oc1cccnc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H12ClN3O4/c1-9(14(19)17-11-5-2-4-10(15)8-11)22-12-6-3-7-16-13(12)18(20)21/h2-9H,1H3,(H,17,19)
InChIKeyDTZSAHGJJCNDQK-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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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide (CID 4556813) is N-(3-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide is CC(Oc1cccnc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
The InChIKey is DTZSAHGJJCNDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O4/c1-9(14(19)17-11-5-2-4-10(15)8-11)22-12-6-3-7-16-13(12)18(20)21/h2-9H,1H3,(H,17,19).
What are the key properties of N-(3-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
N-(3-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-(3-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide is sourced from PubChem (CID 4556813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).