N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide

C13H10ClN3O3 — CID 115577532

IUPACN-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccn1
InChIInChI=1S/C13H10ClN3O3/c14-10-5-6-15-12(8-10)16-13(18)7-9-1-3-11(4-2-9)17(19)20/h1-6,8H,7H2,(H,15,16,18)
InChIKeyPPHXZQHPRKIFRF-UHFFFAOYSA-N
MW291.69 g/mol
LogP2.82
Rot. Bonds4

About N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide

N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide (PubChem CID 115577532) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide
PubChem CID115577532
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC NameN-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccn1
InChIInChI=1S/C13H10ClN3O3/c14-10-5-6-15-12(8-10)16-13(18)7-9-1-3-11(4-2-9)17(19)20/h1-6,8H,7H2,(H,15,16,18)
InChIKeyPPHXZQHPRKIFRF-UHFFFAOYSA-N
XLogP2.82
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 52.82
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-(4-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 115626697
2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide
CID 3575830
N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 115627296
N-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 5216204
4-chloro-2-[[2-(4-nitrophenyl)acetyl]amino]benzoate
CID 7372821
2-(2-chloro-4-nitrophenyl)-N-(4-methyl-2-pyridinyl)acetamide
CID 172639803
N-(4-chloro-2-pyridinyl)-2-hydroxyacetamide
CID 83768276
N-(2-chloro-5-nitrophenyl)-2-(4-chlorophenyl)acetamide
CID 4048119
2-(3-bromophenyl)-N-(4-chloro-2-pyridinyl)acetamide
CID 115627297
2-(4-chlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4639208
4-chloro-N-(4-chloro-2-pyridinyl)-2-nitrobenzamide
CID 115626712
N-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide
CID 9218215

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide (CID 115577532) is N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccn1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide?
The InChIKey is PPHXZQHPRKIFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c14-10-5-6-15-12(8-10)16-13(18)7-9-1-3-11(4-2-9)17(19)20/h1-6,8H,7H2,(H,15,16,18).
What are the key properties of N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide?
N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide has a molecular weight of 291.69 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 115577532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).