N-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide

C13H10ClN3O3 — CID 5216204

IUPACN-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccnc1Cl
InChIInChI=1S/C13H10ClN3O3/c14-13-11(2-1-7-15-13)16-12(18)8-9-3-5-10(6-4-9)17(19)20/h1-7H,8H2,(H,16,18)
InChIKeyMTLAZUTXSVFJBA-UHFFFAOYSA-N
MW291.69 g/mol
LogP2.82
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide

N-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide (PubChem CID 5216204) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide
PubChem CID5216204
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC NameN-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccnc1Cl
InChIInChI=1S/C13H10ClN3O3/c14-13-11(2-1-7-15-13)16-12(18)8-9-3-5-10(6-4-9)17(19)20/h1-7H,8H2,(H,16,18)
InChIKeyMTLAZUTXSVFJBA-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide
CID 3575830
N'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide
CID 108513126
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 772340
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 115577532
N-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499519
2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide
CID 31868499
N-[3-chloro-2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 75380328
N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 26264303
2-(4-nitrophenyl)-N-(2-propoxyphenyl)acetamide
CID 30728355
N-(2-chloro-3-pyridinyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108520495

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide (CID 5216204) is N-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide?
The InChIKey is MTLAZUTXSVFJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c14-13-11(2-1-7-15-13)16-12(18)8-9-3-5-10(6-4-9)17(19)20/h1-7H,8H2,(H,16,18).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide?
N-(2-chloro-3-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-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 5216204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).