5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide

C14H20BrIN2O — CID 103600067

IUPAC5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide
SMILESCCN(CC)CCCNC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C14H20BrIN2O/c1-3-18(4-2)9-5-8-17-14(19)12-10-11(15)6-7-13(12)16/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyXSVFZYIIXXJQKB-UHFFFAOYSA-N
MW439.14 g/mol
LogP3.52
Rot. Bonds7

About 5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide

5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide (PubChem CID 103600067) has the molecular formula C14H20BrIN2O and a molecular weight of 439.14 g/mol. Its IUPAC name is 5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide
PubChem CID103600067
Molecular FormulaC14H20BrIN2O
Molecular Weight439.14 g/mol
Exact Mass437.98
IUPAC Name5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide
SMILESCCN(CC)CCCNC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C14H20BrIN2O/c1-3-18(4-2)9-5-8-17-14(19)12-10-11(15)6-7-13(12)16/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyXSVFZYIIXXJQKB-UHFFFAOYSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.14
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-ethyl-2-iodobenzamide
CID 47100033
4-[(5-bromo-2-iodobenzoyl)amino]butanoic acid
CID 43239229
5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide
CID 103806278
5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 24691608
2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide
CID 24694683
5-bromo-N-[3-(cyclopropylamino)propyl]-2-iodobenzamide
CID 114032603
5-bromo-2-iodo-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 113258386
5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 55153821
4-bromo-N-[2-(diethylamino)ethyl]-2-sulfanylbenzamide
CID 107019687
5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 113219048
5-bromo-N-(2-ethylbutyl)-2-iodobenzamide
CID 115612616
N-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide
CID 113222868

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide?
The IUPAC name of 5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide (CID 103600067) is 5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide.
What is the SMILES notation for 5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide?
The canonical SMILES for 5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide is CCN(CC)CCCNC(=O)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide?
The InChIKey is XSVFZYIIXXJQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrIN2O/c1-3-18(4-2)9-5-8-17-14(19)12-10-11(15)6-7-13(12)16/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,19).
What are the key properties of 5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide?
5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide has a molecular weight of 439.14 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide is sourced from PubChem (CID 103600067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).