2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide

C15H14ClN3O3 — CID 18078607

IUPAC2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H14ClN3O3/c1-10-2-4-11(5-3-10)18-15(20)9-17-12-6-7-13(16)14(8-12)19(21)22/h2-8,17H,9H2,1H3,(H,18,20)
InChIKeyNTUQIFFRGZBUFE-UHFFFAOYSA-N
MW319.75 g/mol
LogP3.61
Rot. Bonds5

About 2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide

2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide (PubChem CID 18078607) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide
PubChem CID18078607
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H14ClN3O3/c1-10-2-4-11(5-3-10)18-15(20)9-17-12-6-7-13(16)14(8-12)19(21)22/h2-8,17H,9H2,1H3,(H,18,20)
InChIKeyNTUQIFFRGZBUFE-UHFFFAOYSA-N
XLogP3.61
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 53.61
H-Bond Donors ≤ 52
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-(2-chloro-4-fluorophenyl)-2-(4-chloro-3-nitroanilino)acetamide
CID 26438778
2-(4-chloro-3-nitroanilino)-N-(3-cyanophenyl)acetamide
CID 4849504
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 9099793
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-nitroanilino)acetamide
CID 26438803
2-(4-chloro-3-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 60536545
N,N'-bis(4-chloro-3-nitrophenyl)decanediamide
CID 17080083
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-3-nitroanilino)acetamide
CID 55365204
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide
CID 103768034
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide
CID 2617180
2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 1185944
2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide
CID 61266189

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide (CID 18078607) is 2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide?
The InChIKey is NTUQIFFRGZBUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-10-2-4-11(5-3-10)18-15(20)9-17-12-6-7-13(16)14(8-12)19(21)22/h2-8,17H,9H2,1H3,(H,18,20).
What are the key properties of 2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide?
2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide has a molecular weight of 319.75 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 18078607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).