5-bromo-N-[2-(diethylamino)ethyl]-2-(4-iodo-2-methylanilino)benzamide

C20H25BrIN3O — CID 22226090

IUPAC5-bromo-N-[2-(diethylamino)ethyl]-2-(4-iodo-2-methylanilino)benzamide
SMILESCCN(CC)CCNC(=O)c1cc(Br)ccc1Nc1ccc(I)cc1C
InChIInChI=1S/C20H25BrIN3O/c1-4-25(5-2)11-10-23-20(26)17-13-15(21)6-8-19(17)24-18-9-7-16(22)12-14(18)3/h6-9,12-13,24H,4-5,10-11H2,1-3H3,(H,23,26)
InChIKeyAZVJODFNVSECTP-UHFFFAOYSA-N
MW530.25 g/mol
LogP5.18
Rot. Bonds8

About 5-bromo-N-[2-(diethylamino)ethyl]-2-(4-iodo-2-methylanilino)benzamide

5-bromo-N-[2-(diethylamino)ethyl]-2-(4-iodo-2-methylanilino)benzamide (PubChem CID 22226090) has the molecular formula C20H25BrIN3O and a molecular weight of 530.25 g/mol. Its IUPAC name is 5-bromo-N-[2-(diethylamino)ethyl]-2-(4-iodo-2-methylanilino)benzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(diethylamino)ethyl]-2-(4-iodo-2-methylanilino)benzamide
PubChem CID22226090
Molecular FormulaC20H25BrIN3O
Molecular Weight530.25 g/mol
Exact Mass529.02
IUPAC Name5-bromo-N-[2-(diethylamino)ethyl]-2-(4-iodo-2-methylanilino)benzamide
SMILESCCN(CC)CCNC(=O)c1cc(Br)ccc1Nc1ccc(I)cc1C
InChIInChI=1S/C20H25BrIN3O/c1-4-25(5-2)11-10-23-20(26)17-13-15(21)6-8-19(17)24-18-9-7-16(22)12-14(18)3/h6-9,12-13,24H,4-5,10-11H2,1-3H3,(H,23,26)
InChIKeyAZVJODFNVSECTP-UHFFFAOYSA-N
XLogP5.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.25
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(4-iodo-2-methylanilino)-N-(3-piperidin-1-ylpropyl)benzamide
CID 22225983
5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 65311639
5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 24691608
5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)benzamide
CID 159834623
5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide
CID 103600067
4-bromo-N-[2-(diethylamino)ethyl]-2-sulfanylbenzamide
CID 107019687
N-[3-(diethylamino)-2-hydroxypropyl]-5-fluoro-2-(4-iodo-2-methylanilino)benzamide
CID 22271689
5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 103600330
2-[(5-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid
CID 65307924
N-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide
CID 24797314
5-bromo-N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methoxybenzamide
CID 110612673
5-bromo-2-butoxy-N-[2-(diethylamino)ethylcarbamothioyl]benzamide
CID 17218571

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(diethylamino)ethyl]-2-(4-iodo-2-methylanilino)benzamide?
The IUPAC name of 5-bromo-N-[2-(diethylamino)ethyl]-2-(4-iodo-2-methylanilino)benzamide (CID 22226090) is 5-bromo-N-[2-(diethylamino)ethyl]-2-(4-iodo-2-methylanilino)benzamide.
What is the SMILES notation for 5-bromo-N-[2-(diethylamino)ethyl]-2-(4-iodo-2-methylanilino)benzamide?
The canonical SMILES for 5-bromo-N-[2-(diethylamino)ethyl]-2-(4-iodo-2-methylanilino)benzamide is CCN(CC)CCNC(=O)c1cc(Br)ccc1Nc1ccc(I)cc1C.
What is the InChIKey of 5-bromo-N-[2-(diethylamino)ethyl]-2-(4-iodo-2-methylanilino)benzamide?
The InChIKey is AZVJODFNVSECTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrIN3O/c1-4-25(5-2)11-10-23-20(26)17-13-15(21)6-8-19(17)24-18-9-7-16(22)12-14(18)3/h6-9,12-13,24H,4-5,10-11H2,1-3H3,(H,23,26).
What are the key properties of 5-bromo-N-[2-(diethylamino)ethyl]-2-(4-iodo-2-methylanilino)benzamide?
5-bromo-N-[2-(diethylamino)ethyl]-2-(4-iodo-2-methylanilino)benzamide has a molecular weight of 530.25 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(diethylamino)ethyl]-2-(4-iodo-2-methylanilino)benzamide is sourced from PubChem (CID 22226090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).