N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide

C14H20ClNO2 — CID 107321415

IUPACN-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCCCCCCl)c1
InChIInChI=1S/C14H20ClNO2/c1-18-13-7-5-6-12(10-13)11-14(17)16-9-4-2-3-8-15/h5-7,10H,2-4,8-9,11H2,1H3,(H,16,17)
InChIKeyOSCBFJBDYSNVEO-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.76
Rot. Bonds8

About N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide

N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide (PubChem CID 107321415) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide
PubChem CID107321415
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCCCCCCl)c1
InChIInChI=1S/C14H20ClNO2/c1-18-13-7-5-6-12(10-13)11-14(17)16-9-4-2-3-8-15/h5-7,10H,2-4,8-9,11H2,1H3,(H,16,17)
InChIKeyOSCBFJBDYSNVEO-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

5-[[2-(3-methoxyphenyl)acetyl]amino]pentanoic acid
CID 62033755
N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide
CID 114504420
N-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide
CID 107846976
2-(3-bromophenyl)-N-(5-chloropentyl)acetamide
CID 107320862
N-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide
CID 106130409
N-[2-(2-methoxyethoxy)ethyl]-2-(3-methoxyphenyl)acetamide
CID 86985384
N-(4-methoxybutyl)-3-(3-methoxyphenyl)propanamide
CID 110418006
N-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide
CID 113273646
N-[2-(4-hydroxyphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 61017914
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylmethoxyphenyl)acetamide
CID 13406973
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 95172596

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide (CID 107321415) is N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NCCCCCCl)c1.
What is the InChIKey of N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is OSCBFJBDYSNVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-18-13-7-5-6-12(10-13)11-14(17)16-9-4-2-3-8-15/h5-7,10H,2-4,8-9,11H2,1H3,(H,16,17).
What are the key properties of N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide?
N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 269.77 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 107321415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).