5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide

C14H18BrIN2O — CID 113219048

IUPAC5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCC1)c1cc(Br)ccc1I
InChIInChI=1S/C14H18BrIN2O/c15-11-4-5-13(16)12(10-11)14(19)17-6-3-9-18-7-1-2-8-18/h4-5,10H,1-3,6-9H2,(H,17,19)
InChIKeyQAFZXNNRRJMLTL-UHFFFAOYSA-N
MW437.12 g/mol
LogP3.27
Rot. Bonds5

About 5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide

5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 113219048) has the molecular formula C14H18BrIN2O and a molecular weight of 437.12 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID113219048
Molecular FormulaC14H18BrIN2O
Molecular Weight437.12 g/mol
Exact Mass435.96
IUPAC Name5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCC1)c1cc(Br)ccc1I
InChIInChI=1S/C14H18BrIN2O/c15-11-4-5-13(16)12(10-11)14(19)17-6-3-9-18-7-1-2-8-18/h4-5,10H,1-3,6-9H2,(H,17,19)
InChIKeyQAFZXNNRRJMLTL-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.12
LogP ≤ 53.27
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-2-iodo-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 106325742
5-bromo-2-(4-iodo-2-methylanilino)-N-(3-piperidin-1-ylpropyl)benzamide
CID 22225983
4-[(5-bromo-2-iodobenzoyl)amino]butanoic acid
CID 43239229
5-bromo-N-[3-(cyclopropylamino)propyl]-2-iodobenzamide
CID 114032603
5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 51155963
2-bromo-4-fluoro-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60668704
3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide
CID 107980133
5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443297
2-amino-4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 79713946
5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide
CID 103806278
2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide
CID 79723555
5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide
CID 103600067

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide (CID 113219048) is 5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide is O=C(NCCCN1CCCC1)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is QAFZXNNRRJMLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrIN2O/c15-11-4-5-13(16)12(10-11)14(19)17-6-3-9-18-7-1-2-8-18/h4-5,10H,1-3,6-9H2,(H,17,19).
What are the key properties of 5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide?
5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 437.12 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 113219048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).