N-(3-bromopropyl)-N-cyclobutyl-3-propan-2-yloxybenzamide

C17H24BrNO2 — CID 102872526

IUPACN-(3-bromopropyl)-N-cyclobutyl-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)N(CCCBr)C2CCC2)c1
InChIInChI=1S/C17H24BrNO2/c1-13(2)21-16-9-3-6-14(12-16)17(20)19(11-5-10-18)15-7-4-8-15/h3,6,9,12-13,15H,4-5,7-8,10-11H2,1-2H3
InChIKeyHDVIUGXOKZBFDK-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.25
Rot. Bonds7

About N-(3-bromopropyl)-N-cyclobutyl-3-propan-2-yloxybenzamide

N-(3-bromopropyl)-N-cyclobutyl-3-propan-2-yloxybenzamide (PubChem CID 102872526) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutyl-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutyl-3-propan-2-yloxybenzamide
PubChem CID102872526
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC NameN-(3-bromopropyl)-N-cyclobutyl-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)N(CCCBr)C2CCC2)c1
InChIInChI=1S/C17H24BrNO2/c1-13(2)21-16-9-3-6-14(12-16)17(20)19(11-5-10-18)15-7-4-8-15/h3,6,9,12-13,15H,4-5,7-8,10-11H2,1-2H3
InChIKeyHDVIUGXOKZBFDK-UHFFFAOYSA-N
XLogP4.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-N-cyclopropyl-3-propan-2-yloxybenzamide
CID 62919298
N-(2-bromoethyl)-N-cyclopentyl-4-propan-2-yloxybenzamide
CID 80652714
4-bromo-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 146007117
N-(3-aminopropyl)-N-cyclohexyl-3-methoxybenzamide
CID 43319405
N-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide
CID 106754316
N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide
CID 63394478
N-methyl-N-piperidin-3-yl-3-propan-2-yloxybenzamide
CID 62920144
3-bromo-N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 107994367
N-(3-bromopropyl)-3-chloro-N-cyclobutyl-4-iodobenzamide
CID 103212872
N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 102872326
N-(2-chloroethyl)-N-cyclopropyl-4-propan-2-yloxybenzamide
CID 63394289
N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
CID 102872443

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-3-propan-2-yloxybenzamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-3-propan-2-yloxybenzamide (CID 102872526) is N-(3-bromopropyl)-N-cyclobutyl-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutyl-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutyl-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)N(CCCBr)C2CCC2)c1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutyl-3-propan-2-yloxybenzamide?
The InChIKey is HDVIUGXOKZBFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c1-13(2)21-16-9-3-6-14(12-16)17(20)19(11-5-10-18)15-7-4-8-15/h3,6,9,12-13,15H,4-5,7-8,10-11H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-N-cyclobutyl-3-propan-2-yloxybenzamide?
N-(3-bromopropyl)-N-cyclobutyl-3-propan-2-yloxybenzamide has a molecular weight of 354.29 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutyl-3-propan-2-yloxybenzamide is sourced from PubChem (CID 102872526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).