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

C14H12ClN3O3 — CID 172639803

IUPAC2-(2-chloro-4-nitrophenyl)-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1
InChIInChI=1S/C14H12ClN3O3/c1-9-4-5-16-13(6-9)17-14(19)7-10-2-3-11(18(20)21)8-12(10)15/h2-6,8H,7H2,1H3,(H,16,17,19)
InChIKeySAGLUVWABCEXLG-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.13
Rot. Bonds4

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

2-(2-chloro-4-nitrophenyl)-N-(4-methyl-2-pyridinyl)acetamide (PubChem CID 172639803) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenyl)-N-(4-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenyl)-N-(4-methyl-2-pyridinyl)acetamide
PubChem CID172639803
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name2-(2-chloro-4-nitrophenyl)-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1
InChIInChI=1S/C14H12ClN3O3/c1-9-4-5-16-13(6-9)17-14(19)7-10-2-3-11(18(20)21)8-12(10)15/h2-6,8H,7H2,1H3,(H,16,17,19)
InChIKeySAGLUVWABCEXLG-UHFFFAOYSA-N
XLogP3.13
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.13
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

2-chloro-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide
CID 4234801
N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 115577532
2-chloro-N-(4-methyl-2-pyridinyl)-3,5-dinitrobenzamide
CID 4629189
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
1-(2-chloro-4-nitrophenyl)-3-methylbutan-2-one
CID 63199228
N-(4-chloro-3-nitrophenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108512860
4-[[2-(2-chloro-4-nitrophenyl)acetyl]amino]-4-methylpentanoic acid
CID 119357589
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chloro-4-nitrophenyl)acetamide
CID 119607204
2-(2-chloro-4-nitrophenyl)ethanethioic S-acid
CID 91621429
N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 115627296
2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 112771738
2-[[2-(2-chloro-4-nitrophenyl)acetyl]amino]-2-methylpentanoic acid
CID 120517024

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenyl)-N-(4-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenyl)-N-(4-methyl-2-pyridinyl)acetamide (CID 172639803) is 2-(2-chloro-4-nitrophenyl)-N-(4-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenyl)-N-(4-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenyl)-N-(4-methyl-2-pyridinyl)acetamide is Cc1ccnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1.
What is the InChIKey of 2-(2-chloro-4-nitrophenyl)-N-(4-methyl-2-pyridinyl)acetamide?
The InChIKey is SAGLUVWABCEXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-9-4-5-16-13(6-9)17-14(19)7-10-2-3-11(18(20)21)8-12(10)15/h2-6,8H,7H2,1H3,(H,16,17,19).
What are the key properties of 2-(2-chloro-4-nitrophenyl)-N-(4-methyl-2-pyridinyl)acetamide?
2-(2-chloro-4-nitrophenyl)-N-(4-methyl-2-pyridinyl)acetamide has a molecular weight of 305.72 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenyl)-N-(4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 172639803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).