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

C15H11ClN4O3 — CID 4849504

IUPAC2-(4-chloro-3-nitroanilino)-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CNc2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H11ClN4O3/c16-13-5-4-11(7-14(13)20(22)23)18-9-15(21)19-12-3-1-2-10(6-12)8-17/h1-7,18H,9H2,(H,19,21)
InChIKeyYZEZGCTXALSUGW-UHFFFAOYSA-N
MW330.73 g/mol
LogP3.17
Rot. Bonds5

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

2-(4-chloro-3-nitroanilino)-N-(3-cyanophenyl)acetamide (PubChem CID 4849504) has the molecular formula C15H11ClN4O3 and a molecular weight of 330.73 g/mol. Its IUPAC name is 2-(4-chloro-3-nitroanilino)-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-nitroanilino)-N-(3-cyanophenyl)acetamide
PubChem CID4849504
Molecular FormulaC15H11ClN4O3
Molecular Weight330.73 g/mol
Exact Mass330.05
IUPAC Name2-(4-chloro-3-nitroanilino)-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CNc2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H11ClN4O3/c16-13-5-4-11(7-14(13)20(22)23)18-9-15(21)19-12-3-1-2-10(6-12)8-17/h1-7,18H,9H2,(H,19,21)
InChIKeyYZEZGCTXALSUGW-UHFFFAOYSA-N
XLogP3.17
TPSA108.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 53.17
H-Bond Donors ≤ 52
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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Related Compounds

2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide
CID 18078607
2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide
CID 9101293
N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069791
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
2-anilino-N-(3-chloro-4-nitrophenyl)acetamide
CID 82865777
[2-(3-cyanoanilino)-2-oxoethyl] 4-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoate
CID 3949475
2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
CID 26438593
2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9101406
N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 9099793
N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100025
N-(4-chloro-3-nitrophenyl)-2-[(4-cyanophenyl)methylsulfanyl]acetamide
CID 84554806
2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide
CID 7991024

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-nitroanilino)-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-(4-chloro-3-nitroanilino)-N-(3-cyanophenyl)acetamide (CID 4849504) is 2-(4-chloro-3-nitroanilino)-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-nitroanilino)-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-3-nitroanilino)-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)CNc2ccc(Cl)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 2-(4-chloro-3-nitroanilino)-N-(3-cyanophenyl)acetamide?
The InChIKey is YZEZGCTXALSUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O3/c16-13-5-4-11(7-14(13)20(22)23)18-9-15(21)19-12-3-1-2-10(6-12)8-17/h1-7,18H,9H2,(H,19,21).
What are the key properties of 2-(4-chloro-3-nitroanilino)-N-(3-cyanophenyl)acetamide?
2-(4-chloro-3-nitroanilino)-N-(3-cyanophenyl)acetamide has a molecular weight of 330.73 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-nitroanilino)-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 4849504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).