N-[1-(4-chlorophenyl)pentyl]acetamide

C13H18ClNO — CID 23652178

IUPACN-[1-(4-chlorophenyl)pentyl]acetamide
SMILESCCCCC(NC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-3-4-5-13(15-10(2)16)11-6-8-12(14)9-7-11/h6-9,13H,3-5H2,1-2H3,(H,15,16)
InChIKeyJGXWKPRAEALGRT-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.71
Rot. Bonds5

About N-[1-(4-chlorophenyl)pentyl]acetamide

N-[1-(4-chlorophenyl)pentyl]acetamide (PubChem CID 23652178) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)pentyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)pentyl]acetamide
PubChem CID23652178
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-[1-(4-chlorophenyl)pentyl]acetamide
SMILESCCCCC(NC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-3-4-5-13(15-10(2)16)11-6-8-12(14)9-7-11/h6-9,13H,3-5H2,1-2H3,(H,15,16)
InChIKeyJGXWKPRAEALGRT-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chlorophenyl)-4-hydroxybutyl]acetamide
CID 143788152
1-(4-chlorophenyl)-N-methylpentan-1-amine
CID 11708302
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
1-(4-chlorophenyl)-N-ethylhexan-1-amine
CID 43488947
N-[(1S)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethyl]acetamide
CID 101478082
3-acetamido-N-(1-aminohexan-2-yl)-3-(4-methylphenyl)propanamide
CID 119668025
3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 78855440
N-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide
CID 67575764
3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119432712
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide
CID 134045689

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)pentyl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)pentyl]acetamide (CID 23652178) is N-[1-(4-chlorophenyl)pentyl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)pentyl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)pentyl]acetamide is CCCCC(NC(C)=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)pentyl]acetamide?
The InChIKey is JGXWKPRAEALGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-3-4-5-13(15-10(2)16)11-6-8-12(14)9-7-11/h6-9,13H,3-5H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(4-chlorophenyl)pentyl]acetamide?
N-[1-(4-chlorophenyl)pentyl]acetamide has a molecular weight of 239.75 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)pentyl]acetamide is sourced from PubChem (CID 23652178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).