N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide

C16H13Cl2IN2O2 — CID 31182819

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(I)cc1
InChIInChI=1S/C16H13Cl2IN2O2/c1-21(16(23)10-2-4-11(19)5-3-10)9-15(22)20-12-6-7-13(17)14(18)8-12/h2-8H,9H2,1H3,(H,20,22)
InChIKeyGOILULWOQXMREE-UHFFFAOYSA-N
MW463.10 g/mol
LogP4.31
Rot. Bonds4

About N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide (PubChem CID 31182819) has the molecular formula C16H13Cl2IN2O2 and a molecular weight of 463.10 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide
PubChem CID31182819
Molecular FormulaC16H13Cl2IN2O2
Molecular Weight463.10 g/mol
Exact Mass461.94
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(I)cc1
InChIInChI=1S/C16H13Cl2IN2O2/c1-21(16(23)10-2-4-11(19)5-3-10)9-15(22)20-12-6-7-13(17)14(18)8-12/h2-8H,9H2,1H3,(H,20,22)
InChIKeyGOILULWOQXMREE-UHFFFAOYSA-N
XLogP4.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.10
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
4-(carbamoylamino)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 30091289
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-methylsulfonylbenzamide
CID 9418661
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40604160
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 7718955
ethyl N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate
CID 31183062
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 18112252
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,4-dimethyl-3-nitrobenzamide
CID 9418656
5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9091886
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 31182814
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-1,3-thiazole-5-carboxamide
CID 47084300
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-N-methylbenzamide
CID 2502921

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide (CID 31182819) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(I)cc1.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide?
The InChIKey is GOILULWOQXMREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2IN2O2/c1-21(16(23)10-2-4-11(19)5-3-10)9-15(22)20-12-6-7-13(17)14(18)8-12/h2-8H,9H2,1H3,(H,20,22).
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide has a molecular weight of 463.10 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide is sourced from PubChem (CID 31182819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).