N-(5-bromopentyl)-2,4-dimethylbenzamide

C14H20BrNO — CID 107321862

IUPACN-(5-bromopentyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCCCCBr)c(C)c1
InChIInChI=1S/C14H20BrNO/c1-11-6-7-13(12(2)10-11)14(17)16-9-5-3-4-8-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyMIJYOJSYRQWIJA-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.60
Rot. Bonds6

About N-(5-bromopentyl)-2,4-dimethylbenzamide

N-(5-bromopentyl)-2,4-dimethylbenzamide (PubChem CID 107321862) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-(5-bromopentyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-2,4-dimethylbenzamide
PubChem CID107321862
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-(5-bromopentyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCCCCBr)c(C)c1
InChIInChI=1S/C14H20BrNO/c1-11-6-7-13(12(2)10-11)14(17)16-9-5-3-4-8-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyMIJYOJSYRQWIJA-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.60
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

4-bromo-N-(6-bromohexyl)-2-methylbenzamide
CID 107847484
2-bromo-N-(6-bromohexyl)-4-methylbenzamide
CID 107847962
N-(6-bromohexyl)-2-hydroxy-4-methylbenzamide
CID 107847815
N-(6-bromohexyl)-2-chloro-4-methylbenzamide
CID 107847912
N-(4-iodobutyl)-2,4-dimethylbenzamide
CID 106846408
N-(5-bromopentyl)-2-methyl-4-nitrobenzamide
CID 107321880
N-(4-bromobutyl)-2-methylbenzamide
CID 106845968
N-(4-bromobutyl)-2-methoxy-5-methylbenzamide
CID 106846001
N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
N-(6-bromohexyl)-5-chloro-2-methylbenzamide
CID 107847963
ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 178149105
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(5-bromopentyl)-2,4-dimethylbenzamide (CID 107321862) is N-(5-bromopentyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(5-bromopentyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(5-bromopentyl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCCCCCBr)c(C)c1.
What is the InChIKey of N-(5-bromopentyl)-2,4-dimethylbenzamide?
The InChIKey is MIJYOJSYRQWIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-11-6-7-13(12(2)10-11)14(17)16-9-5-3-4-8-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-(5-bromopentyl)-2,4-dimethylbenzamide?
N-(5-bromopentyl)-2,4-dimethylbenzamide has a molecular weight of 298.22 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 107321862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).