N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide

C9H8Cl2INO — CID 70030657

IUPACN-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
SMILESO=C(CI)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2INO/c10-7-2-1-6(8(11)3-7)5-13-9(14)4-12/h1-3H,4-5H2,(H,13,14)
InChIKeyDHCFWAYYADZLSU-UHFFFAOYSA-N
MW343.98 g/mol
LogP3.04
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide

N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide (PubChem CID 70030657) has the molecular formula C9H8Cl2INO and a molecular weight of 343.98 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
PubChem CID70030657
Molecular FormulaC9H8Cl2INO
Molecular Weight343.98 g/mol
Exact Mass342.90
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
SMILESO=C(CI)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2INO/c10-7-2-1-6(8(11)3-7)5-13-9(14)4-12/h1-3H,4-5H2,(H,13,14)
InChIKeyDHCFWAYYADZLSU-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.98
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657
3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide
CID 115154234
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
CID 100708024
2-(azepan-1-ium-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 8896107
N-[(2,4-dichlorophenyl)methyl]-2-(4-nitrophenyl)acetamide
CID 9218215
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713902
N-[(2,4-dichlorophenyl)methyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7927947
N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896722
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-tert-butylbenzoate
CID 7891762
N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide
CID 2710388
4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9268867

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide (CID 70030657) is N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide is O=C(CI)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide?
The InChIKey is DHCFWAYYADZLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2INO/c10-7-2-1-6(8(11)3-7)5-13-9(14)4-12/h1-3H,4-5H2,(H,13,14).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide?
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide has a molecular weight of 343.98 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide is sourced from PubChem (CID 70030657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).