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

C14H16BrClINO — CID 114029735

IUPACN-(3-bromopropyl)-5-chloro-N-cyclobutyl-2-iodobenzamide
SMILESO=C(c1cc(Cl)ccc1I)N(CCCBr)C1CCC1
InChIInChI=1S/C14H16BrClINO/c15-7-2-8-18(11-3-1-4-11)14(19)12-9-10(16)5-6-13(12)17/h5-6,9,11H,1-4,7-8H2
InChIKeyZVPJSGSBMHATEQ-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.72
Rot. Bonds5

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

N-(3-bromopropyl)-5-chloro-N-cyclobutyl-2-iodobenzamide (PubChem CID 114029735) has the molecular formula C14H16BrClINO and a molecular weight of 456.55 g/mol. Its IUPAC name is N-(3-bromopropyl)-5-chloro-N-cyclobutyl-2-iodobenzamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-5-chloro-N-cyclobutyl-2-iodobenzamide
PubChem CID114029735
Molecular FormulaC14H16BrClINO
Molecular Weight456.55 g/mol
Exact Mass454.91
IUPAC NameN-(3-bromopropyl)-5-chloro-N-cyclobutyl-2-iodobenzamide
SMILESO=C(c1cc(Cl)ccc1I)N(CCCBr)C1CCC1
InChIInChI=1S/C14H16BrClINO/c15-7-2-8-18(11-3-1-4-11)14(19)12-9-10(16)5-6-13(12)17/h5-6,9,11H,1-4,7-8H2
InChIKeyZVPJSGSBMHATEQ-UHFFFAOYSA-N
XLogP4.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-3-chloro-N-cyclobutyl-4-iodobenzamide
CID 103212872
N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 102872326
5-chloro-N-(2-cyanoethyl)-N-cyclopropyl-2-iodobenzamide
CID 113239852
N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-iodobenzamide
CID 107732739
N-(azetidin-3-yl)-5-chloro-2-iodo-N-propylbenzamide
CID 114030457
N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide
CID 80658498
5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide
CID 113222858
N-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide
CID 102872235
N-(3-bromopropyl)-3-chloro-N-cyclobutylpyridine-4-carboxamide
CID 102872187
3-bromo-N-(3-bromopropyl)-5-chloro-N-cyclobutylbenzamide
CID 107941502
3-bromo-N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 107994367
5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide
CID 55187434

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-5-chloro-N-cyclobutyl-2-iodobenzamide?
The IUPAC name of N-(3-bromopropyl)-5-chloro-N-cyclobutyl-2-iodobenzamide (CID 114029735) is N-(3-bromopropyl)-5-chloro-N-cyclobutyl-2-iodobenzamide.
What is the SMILES notation for N-(3-bromopropyl)-5-chloro-N-cyclobutyl-2-iodobenzamide?
The canonical SMILES for N-(3-bromopropyl)-5-chloro-N-cyclobutyl-2-iodobenzamide is O=C(c1cc(Cl)ccc1I)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-5-chloro-N-cyclobutyl-2-iodobenzamide?
The InChIKey is ZVPJSGSBMHATEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClINO/c15-7-2-8-18(11-3-1-4-11)14(19)12-9-10(16)5-6-13(12)17/h5-6,9,11H,1-4,7-8H2.
What are the key properties of N-(3-bromopropyl)-5-chloro-N-cyclobutyl-2-iodobenzamide?
N-(3-bromopropyl)-5-chloro-N-cyclobutyl-2-iodobenzamide has a molecular weight of 456.55 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-5-chloro-N-cyclobutyl-2-iodobenzamide is sourced from PubChem (CID 114029735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).