N-(5-chloropentyl)-2-(4-methylphenyl)acetamide

C14H20ClNO — CID 107320841

IUPACN-(5-chloropentyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCCCCCl)cc1
InChIInChI=1S/C14H20ClNO/c1-12-5-7-13(8-6-12)11-14(17)16-10-4-2-3-9-15/h5-8H,2-4,9-11H2,1H3,(H,16,17)
InChIKeyCPXBKYUBUFPOSQ-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.06
Rot. Bonds7

About N-(5-chloropentyl)-2-(4-methylphenyl)acetamide

N-(5-chloropentyl)-2-(4-methylphenyl)acetamide (PubChem CID 107320841) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-(5-chloropentyl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-2-(4-methylphenyl)acetamide
PubChem CID107320841
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-(5-chloropentyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCCCCCl)cc1
InChIInChI=1S/C14H20ClNO/c1-12-5-7-13(8-6-12)11-14(17)16-10-4-2-3-9-15/h5-8H,2-4,9-11H2,1H3,(H,16,17)
InChIKeyCPXBKYUBUFPOSQ-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.06
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

N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 106845485
N-(4-aminobutyl)-2-(4-methylphenyl)acetamide
CID 60895939
N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 38019898
N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
CID 4080384
2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide
CID 59915565
N-[3-(4-fluorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 92684324
2-(4-fluorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100706292
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
N-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide
CID 107846976
N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide
CID 60966598
2-(3-bromophenyl)-N-(5-chloropentyl)acetamide
CID 107320862
N-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide
CID 114150778

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(5-chloropentyl)-2-(4-methylphenyl)acetamide (CID 107320841) is N-(5-chloropentyl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(5-chloropentyl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(5-chloropentyl)-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCCCCCCl)cc1.
What is the InChIKey of N-(5-chloropentyl)-2-(4-methylphenyl)acetamide?
The InChIKey is CPXBKYUBUFPOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-12-5-7-13(8-6-12)11-14(17)16-10-4-2-3-9-15/h5-8H,2-4,9-11H2,1H3,(H,16,17).
What are the key properties of N-(5-chloropentyl)-2-(4-methylphenyl)acetamide?
N-(5-chloropentyl)-2-(4-methylphenyl)acetamide has a molecular weight of 253.77 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 107320841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).