N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide

C15H11ClINO2 — CID 12500538

IUPACN-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
SMILESO=C(CI)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C15H11ClINO2/c16-11-6-7-13(18-14(19)9-17)12(8-11)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKeyXNWANAKSHOXOIX-UHFFFAOYSA-N
MW399.62 g/mol
LogP3.94
Rot. Bonds4

About N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide

N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide (PubChem CID 12500538) has the molecular formula C15H11ClINO2 and a molecular weight of 399.62 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
PubChem CID12500538
Molecular FormulaC15H11ClINO2
Molecular Weight399.62 g/mol
Exact Mass398.95
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
SMILESO=C(CI)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C15H11ClINO2/c16-11-6-7-13(18-14(19)9-17)12(8-11)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKeyXNWANAKSHOXOIX-UHFFFAOYSA-N
XLogP3.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.62
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium
CID 5113102
2-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)acetamide
CID 4653730
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 3544695
N-(2-benzoyl-4-chlorophenyl)-4-phenylsulfanylbutanamide
CID 41085814
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782592
N-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide
CID 19172248
N-(2-benzoyl-4-chlorophenyl)-2-(4-phenylphenoxy)acetamide
CID 19169901
N-(2-benzoyl-4-chlorophenyl)-2-piperidin-1-ylacetamide;hydrochloride
CID 3039234
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide
CID 2295317
2-amino-N-(2-benzoyl-4-chlorophenyl)-2-fluoroacetamide
CID 23332701
N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 1318894
N-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 100774842

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide (CID 12500538) is N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide is O=C(CI)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide?
The InChIKey is XNWANAKSHOXOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClINO2/c16-11-6-7-13(18-14(19)9-17)12(8-11)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide?
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide has a molecular weight of 399.62 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide is sourced from PubChem (CID 12500538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).