N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-iodobenzamide

C14H17BrINO2 — CID 107732739

IUPACN-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-iodobenzamide
SMILESO=C(c1cc(I)ccc1O)N(CCCBr)C1CCC1
InChIInChI=1S/C14H17BrINO2/c15-7-2-8-17(11-3-1-4-11)14(19)12-9-10(16)5-6-13(12)18/h5-6,9,11,18H,1-4,7-8H2
InChIKeyXJTIPPYRGCTFBP-UHFFFAOYSA-N
MW438.10 g/mol
LogP3.78
Rot. Bonds5

About N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-iodobenzamide

N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-iodobenzamide (PubChem CID 107732739) has the molecular formula C14H17BrINO2 and a molecular weight of 438.10 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-iodobenzamide
PubChem CID107732739
Molecular FormulaC14H17BrINO2
Molecular Weight438.10 g/mol
Exact Mass436.95
IUPAC NameN-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-iodobenzamide
SMILESO=C(c1cc(I)ccc1O)N(CCCBr)C1CCC1
InChIInChI=1S/C14H17BrINO2/c15-7-2-8-17(11-3-1-4-11)14(19)12-9-10(16)5-6-13(12)18/h5-6,9,11,18H,1-4,7-8H2
InChIKeyXJTIPPYRGCTFBP-UHFFFAOYSA-N
XLogP3.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.10
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide
CID 102872287
N-(3-bromopropyl)-5-chloro-N-cyclobutyl-2-iodobenzamide
CID 114029735
N-(5-bromopentyl)-2-hydroxy-5-iodo-N-methylbenzamide
CID 107732751
2-bromo-N-cyclobutyl-N-(2-hydroxyethyl)-5-iodobenzamide
CID 102684421
2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 107732095
N-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide
CID 107732592
N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide
CID 80659305
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide
CID 107732147
N-(3-bromopropyl)-3-chloro-N-cyclobutyl-4-iodobenzamide
CID 103212872
N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide
CID 103891986
N-(2-bromoethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 80666154
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide
CID 107732052

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-iodobenzamide (CID 107732739) is N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-iodobenzamide is O=C(c1cc(I)ccc1O)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-iodobenzamide?
The InChIKey is XJTIPPYRGCTFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrINO2/c15-7-2-8-17(11-3-1-4-11)14(19)12-9-10(16)5-6-13(12)18/h5-6,9,11,18H,1-4,7-8H2.
What are the key properties of N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-iodobenzamide?
N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-iodobenzamide has a molecular weight of 438.10 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 107732739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).