N-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide

C15H22ClNO — CID 107205663

IUPACN-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)N(C)CCCCCCl)c1
InChIInChI=1S/C15H22ClNO/c1-13-7-6-8-14(11-13)12-15(18)17(2)10-5-3-4-9-16/h6-8,11H,3-5,9-10,12H2,1-2H3
InChIKeyBHWLSZSEZLIZIS-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.41
Rot. Bonds7

About N-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide

N-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide (PubChem CID 107205663) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide
PubChem CID107205663
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)N(C)CCCCCCl)c1
InChIInChI=1S/C15H22ClNO/c1-13-7-6-8-14(11-13)12-15(18)17(2)10-5-3-4-9-16/h6-8,11H,3-5,9-10,12H2,1-2H3
InChIKeyBHWLSZSEZLIZIS-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.41
H-Bond Donors ≤ 50
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-(5-chloropentyl)-N-methyl-2-thiophen-3-ylacetamide
CID 107205870
N-(5-chloropentyl)-N-methyl-3-phenylpropanamide
CID 107205755
N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112995384
N-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 63265575
3-[methyl-[2-[3-[(3-methylphenyl)methoxy]phenyl]acetyl]amino]propanoic acid
CID 119362771
N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 107202415
2-(3-hydroxyphenyl)-N-methyl-N-pent-4-enylacetamide
CID 113239258
N-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide
CID 23577992
2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202302
4-[methyl-[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 104698086
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 115267710
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2-(3-methylphenyl)acetamide
CID 62388710

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide (CID 107205663) is N-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)N(C)CCCCCCl)c1.
What is the InChIKey of N-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide?
The InChIKey is BHWLSZSEZLIZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-13-7-6-8-14(11-13)12-15(18)17(2)10-5-3-4-9-16/h6-8,11H,3-5,9-10,12H2,1-2H3.
What are the key properties of N-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide?
N-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide has a molecular weight of 267.80 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 107205663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).