N-(5-bromopentyl)-2-tert-butylbenzamide

C16H24BrNO — CID 107321897

IUPACN-(5-bromopentyl)-2-tert-butylbenzamide
SMILESCC(C)(C)c1ccccc1C(=O)NCCCCCBr
InChIInChI=1S/C16H24BrNO/c1-16(2,3)14-10-6-5-9-13(14)15(19)18-12-8-4-7-11-17/h5-6,9-10H,4,7-8,11-12H2,1-3H3,(H,18,19)
InChIKeyIOCJRVCVIXDTDZ-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.28
Rot. Bonds6

About N-(5-bromopentyl)-2-tert-butylbenzamide

N-(5-bromopentyl)-2-tert-butylbenzamide (PubChem CID 107321897) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-(5-bromopentyl)-2-tert-butylbenzamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-2-tert-butylbenzamide
PubChem CID107321897
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-(5-bromopentyl)-2-tert-butylbenzamide
SMILESCC(C)(C)c1ccccc1C(=O)NCCCCCBr
InChIInChI=1S/C16H24BrNO/c1-16(2,3)14-10-6-5-9-13(14)15(19)18-12-8-4-7-11-17/h5-6,9-10H,4,7-8,11-12H2,1-3H3,(H,18,19)
InChIKeyIOCJRVCVIXDTDZ-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromobutyl)-2-tert-butylbenzamide
CID 106846012
N-(6-aminohexyl)-2-tert-butylbenzamide
CID 107843835
N-(4-bromobutyl)-2-methylbenzamide
CID 106845968
N-(6-bromohexyl)-2-iodobenzamide
CID 107847400
N-(4-bromobutyl)-2-methoxybenzamide
CID 106845963
N-(5-bromopentyl)-2-fluoro-3-methylbenzamide
CID 107322114
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
N-(3-bromopropyl)-2-methylbenzamide
CID 43133629
(2S)-4-[(2-tert-butylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107834398
N-(5-bromopentyl)-2,3-dichlorobenzamide
CID 107321695
2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031297

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-2-tert-butylbenzamide?
The IUPAC name of N-(5-bromopentyl)-2-tert-butylbenzamide (CID 107321897) is N-(5-bromopentyl)-2-tert-butylbenzamide.
What is the SMILES notation for N-(5-bromopentyl)-2-tert-butylbenzamide?
The canonical SMILES for N-(5-bromopentyl)-2-tert-butylbenzamide is CC(C)(C)c1ccccc1C(=O)NCCCCCBr.
What is the InChIKey of N-(5-bromopentyl)-2-tert-butylbenzamide?
The InChIKey is IOCJRVCVIXDTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-16(2,3)14-10-6-5-9-13(14)15(19)18-12-8-4-7-11-17/h5-6,9-10H,4,7-8,11-12H2,1-3H3,(H,18,19).
What are the key properties of N-(5-bromopentyl)-2-tert-butylbenzamide?
N-(5-bromopentyl)-2-tert-butylbenzamide has a molecular weight of 326.28 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-2-tert-butylbenzamide is sourced from PubChem (CID 107321897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).