N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide

C16H24ClNO — CID 106117548

IUPACN-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide
SMILESCCCC(CCCl)CNC(=O)c1ccccc1CC
InChIInChI=1S/C16H24ClNO/c1-3-7-13(10-11-17)12-18-16(19)15-9-6-5-8-14(15)4-2/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,18,19)
InChIKeyQROSNTRMXSLNHH-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.02
Rot. Bonds8

About N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide

N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide (PubChem CID 106117548) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide
PubChem CID106117548
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide
SMILESCCCC(CCCl)CNC(=O)c1ccccc1CC
InChIInChI=1S/C16H24ClNO/c1-3-7-13(10-11-17)12-18-16(19)15-9-6-5-8-14(15)4-2/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,18,19)
InChIKeyQROSNTRMXSLNHH-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide
CID 106117621
N-[2-(2-chloroethyl)pentyl]-2-(2-hydroxyphenyl)acetamide
CID 114145672
2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722702
N-(4-chloro-2-ethylbutyl)-2-methylbenzamide
CID 114306329
N-[2-(2-chloroethyl)pentyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 106117461
N-(4-chlorobutan-2-yl)-2-ethylbenzamide
CID 83179695
2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide
CID 106117476
N-(4-chloro-2-ethylbutyl)-2,3-dihydroxybenzamide
CID 114345290
N-[2-(2-chloroethyl)pentyl]-3,6-dimethylpyridazine-4-carboxamide
CID 114145698
3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide
CID 106117633
N-[2-(2-chloroethyl)pentyl]-2,5-dimethylfuran-3-carboxamide
CID 114145694
4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide
CID 114145710

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide (CID 106117548) is N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide is CCCC(CCCl)CNC(=O)c1ccccc1CC.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide?
The InChIKey is QROSNTRMXSLNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-7-13(10-11-17)12-18-16(19)15-9-6-5-8-14(15)4-2/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide?
N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide has a molecular weight of 281.83 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide is sourced from PubChem (CID 106117548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).