N-(5-bromopentyl)-N-methylbenzamide

C13H18BrNO — CID 10356494

IUPACN-(5-bromopentyl)-N-methylbenzamide
SMILESCN(CCCCCBr)C(=O)c1ccccc1
InChIInChI=1S/C13H18BrNO/c1-15(11-7-3-6-10-14)13(16)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3
InChIKeyBHXLQRHOYNAEMN-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.32
Rot. Bonds6

About N-(5-bromopentyl)-N-methylbenzamide

N-(5-bromopentyl)-N-methylbenzamide (PubChem CID 10356494) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-(5-bromopentyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-N-methylbenzamide
PubChem CID10356494
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-(5-bromopentyl)-N-methylbenzamide
SMILESCN(CCCCCBr)C(=O)c1ccccc1
InChIInChI=1S/C13H18BrNO/c1-15(11-7-3-6-10-14)13(16)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3
InChIKeyBHXLQRHOYNAEMN-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.32
H-Bond Donors ≤ 50
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-(5-bromopentyl)-N,4-dimethylbenzamide
CID 107206029
N-(4-aminobutyl)-N-methylbenzamide
CID 119088367
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide
CID 107206141
N-(3-bromopropyl)-4-ethyl-N-methylbenzamide
CID 106441145
N-(2-aminoethyl)-N-methylbenzamide
CID 28707416
ethane;N-methyl-N-(4-piperidin-4-ylbutyl)benzamide
CID 142036974
N-(5-bromopentyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 107206168
N-(3-bromopropyl)-3-cyano-N-methylbenzamide
CID 106441259
N-but-3-ynyl-N-methylbenzamide
CID 10773933
N-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide
CID 107206107
5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide
CID 107206197

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-N-methylbenzamide?
The IUPAC name of N-(5-bromopentyl)-N-methylbenzamide (CID 10356494) is N-(5-bromopentyl)-N-methylbenzamide.
What is the SMILES notation for N-(5-bromopentyl)-N-methylbenzamide?
The canonical SMILES for N-(5-bromopentyl)-N-methylbenzamide is CN(CCCCCBr)C(=O)c1ccccc1.
What is the InChIKey of N-(5-bromopentyl)-N-methylbenzamide?
The InChIKey is BHXLQRHOYNAEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-15(11-7-3-6-10-14)13(16)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3.
What are the key properties of N-(5-bromopentyl)-N-methylbenzamide?
N-(5-bromopentyl)-N-methylbenzamide has a molecular weight of 284.20 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-N-methylbenzamide is sourced from PubChem (CID 10356494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).