N-(2-benzoyl-4-nitrophenyl)-2,2-dichloroacetamide

C15H10Cl2N2O4 — CID 154108561

IUPACN-(2-benzoyl-4-nitrophenyl)-2,2-dichloroacetamide
SMILESO=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC(=O)C(Cl)Cl
InChIInChI=1S/C15H10Cl2N2O4/c16-14(17)15(21)18-12-7-6-10(19(22)23)8-11(12)13(20)9-4-2-1-3-5-9/h1-8,14H,(H,18,21)
InChIKeyMZXRUCPKHALGHH-UHFFFAOYSA-N
MW353.16 g/mol
LogP3.57
Rot. Bonds5

About N-(2-benzoyl-4-nitrophenyl)-2,2-dichloroacetamide

N-(2-benzoyl-4-nitrophenyl)-2,2-dichloroacetamide (PubChem CID 154108561) has the molecular formula C15H10Cl2N2O4 and a molecular weight of 353.16 g/mol. Its IUPAC name is N-(2-benzoyl-4-nitrophenyl)-2,2-dichloroacetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-nitrophenyl)-2,2-dichloroacetamide
PubChem CID154108561
Molecular FormulaC15H10Cl2N2O4
Molecular Weight353.16 g/mol
Exact Mass352.00
IUPAC NameN-(2-benzoyl-4-nitrophenyl)-2,2-dichloroacetamide
SMILESO=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC(=O)C(Cl)Cl
InChIInChI=1S/C15H10Cl2N2O4/c16-14(17)15(21)18-12-7-6-10(19(22)23)8-11(12)13(20)9-4-2-1-3-5-9/h1-8,14H,(H,18,21)
InChIKeyMZXRUCPKHALGHH-UHFFFAOYSA-N
XLogP3.57
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-benzoyl-4-nitrophenyl)-2,2-dichloroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-benzoyl-4-nitrophenyl)-2,2-diphenylacetamide
CID 11026488
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 1354566
N-(2-benzoyl-4-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 78873840
1-(2-benzoyl-4-bromophenyl)-3-(4-nitrophenyl)urea
CID 3126800
[2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone
CID 624667
(E)-N-(2-benzoyl-4-nitrophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 11201786
2-(2-methylpropanoylamino)-5-nitrobenzoic acid
CID 16770490
[5-chloro-2-(4-nitroanilino)phenyl]-phenylmethanone
CID 3826701
(2S)-N-(2-benzoyl-4-nitrophenyl)-1-benzylpyrrolidine-2-carboxamide
CID 11091271
N-(3-benzoyl-2-chloro-5-nitrophenyl)acetamide
CID 154114090
2-(4-benzoylanilino)-5-nitrobenzoic acid
CID 18358190
N-(2-benzoyl-4-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 4652681

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-nitrophenyl)-2,2-dichloroacetamide?
The IUPAC name of N-(2-benzoyl-4-nitrophenyl)-2,2-dichloroacetamide (CID 154108561) is N-(2-benzoyl-4-nitrophenyl)-2,2-dichloroacetamide.
What is the SMILES notation for N-(2-benzoyl-4-nitrophenyl)-2,2-dichloroacetamide?
The canonical SMILES for N-(2-benzoyl-4-nitrophenyl)-2,2-dichloroacetamide is O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC(=O)C(Cl)Cl.
What is the InChIKey of N-(2-benzoyl-4-nitrophenyl)-2,2-dichloroacetamide?
The InChIKey is MZXRUCPKHALGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O4/c16-14(17)15(21)18-12-7-6-10(19(22)23)8-11(12)13(20)9-4-2-1-3-5-9/h1-8,14H,(H,18,21).
What are the key properties of N-(2-benzoyl-4-nitrophenyl)-2,2-dichloroacetamide?
N-(2-benzoyl-4-nitrophenyl)-2,2-dichloroacetamide has a molecular weight of 353.16 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-nitrophenyl)-2,2-dichloroacetamide is sourced from PubChem (CID 154108561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).