N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide

C16H24BrNO — CID 106118118

IUPACN-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide
SMILESCCCC(CCBr)CNC(=O)c1ccc(CC)cc1
InChIInChI=1S/C16H24BrNO/c1-3-5-14(10-11-17)12-18-16(19)15-8-6-13(4-2)7-9-15/h6-9,14H,3-5,10-12H2,1-2H3,(H,18,19)
InChIKeyLEEORPZRPZCCKE-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.18
Rot. Bonds8

About N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide

N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide (PubChem CID 106118118) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide
PubChem CID106118118
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide
SMILESCCCC(CCBr)CNC(=O)c1ccc(CC)cc1
InChIInChI=1S/C16H24BrNO/c1-3-5-14(10-11-17)12-18-16(19)15-8-6-13(4-2)7-9-15/h6-9,14H,3-5,10-12H2,1-2H3,(H,18,19)
InChIKeyLEEORPZRPZCCKE-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide
CID 114145772
N-[2-(2-bromoethyl)pentyl]-6-oxo-1H-pyridine-3-carboxamide
CID 114145848
N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide
CID 114317617
N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 114317772
N-[2-(2-bromoethyl)pentyl]-4-methyl-3-nitrobenzamide
CID 106117843
N-(4-bromo-2-ethylbutyl)-4-methylsulfanylbenzamide
CID 114317601
N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide
CID 106117950
N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide
CID 106117964
ethane;4-ethyl-N-propylbenzamide
CID 142831348
N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide
CID 106118115
2-bromo-N-[2-(2-bromoethyl)pentyl]-5-fluorobenzamide
CID 114145829
N-(4-bromo-2-ethylbutyl)-4-propan-2-yloxybenzamide
CID 114317757

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide (CID 106118118) is N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide is CCCC(CCBr)CNC(=O)c1ccc(CC)cc1.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide?
The InChIKey is LEEORPZRPZCCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-5-14(10-11-17)12-18-16(19)15-8-6-13(4-2)7-9-15/h6-9,14H,3-5,10-12H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide?
N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide has a molecular weight of 326.28 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide is sourced from PubChem (CID 106118118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).