5-bromo-N-[2-(diethylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide

C14H18BrIN2O2 — CID 55406882

IUPAC5-bromo-N-[2-(diethylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cc(Br)ccc1I
InChIInChI=1S/C14H18BrIN2O2/c1-4-18(5-2)13(19)9-17(3)14(20)11-8-10(15)6-7-12(11)16/h6-8H,4-5,9H2,1-3H3
InChIKeyYVVPFXVQMZYCPQ-UHFFFAOYSA-N
MW453.12 g/mol
LogP2.99
Rot. Bonds5

About 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide

5-bromo-N-[2-(diethylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide (PubChem CID 55406882) has the molecular formula C14H18BrIN2O2 and a molecular weight of 453.12 g/mol. Its IUPAC name is 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(diethylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide
PubChem CID55406882
Molecular FormulaC14H18BrIN2O2
Molecular Weight453.12 g/mol
Exact Mass451.96
IUPAC Name5-bromo-N-[2-(diethylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cc(Br)ccc1I
InChIInChI=1S/C14H18BrIN2O2/c1-4-18(5-2)13(19)9-17(3)14(20)11-8-10(15)6-7-12(11)16/h6-8H,4-5,9H2,1-3H3
InChIKeyYVVPFXVQMZYCPQ-UHFFFAOYSA-N
XLogP2.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.12
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 65309366
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-5-bromo-2-iodo-N-methylbenzamide
CID 114032684
5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide
CID 103600040
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 47113782
2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 36943976
5-bromo-N-(2-cyanoethyl)-2-iodo-N-methylbenzamide
CID 99149210
5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 39947725
5-bromo-N-[(4-fluorophenyl)methyl]-2-iodo-N-methylbenzamide
CID 103600097
2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
CID 60662164
2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
CID 78812720
5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 47391163
5-bromo-N-ethyl-2-iodobenzamide
CID 47100033

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide?
The IUPAC name of 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide (CID 55406882) is 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide?
The canonical SMILES for 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide is CCN(CC)C(=O)CN(C)C(=O)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide?
The InChIKey is YVVPFXVQMZYCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrIN2O2/c1-4-18(5-2)13(19)9-17(3)14(20)11-8-10(15)6-7-12(11)16/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide?
5-bromo-N-[2-(diethylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide has a molecular weight of 453.12 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide is sourced from PubChem (CID 55406882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).