N-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide

C14H20ClNO2 — CID 113273646

IUPACN-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCC(C)CCCl)c1
InChIInChI=1S/C14H20ClNO2/c1-11(6-7-15)10-16-14(17)9-12-4-3-5-13(8-12)18-2/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,16,17)
InChIKeySVINGKCKRZVCIK-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.62
Rot. Bonds7

About N-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide

N-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide (PubChem CID 113273646) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide
PubChem CID113273646
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCC(C)CCCl)c1
InChIInChI=1S/C14H20ClNO2/c1-11(6-7-15)10-16-14(17)9-12-4-3-5-13(8-12)18-2/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,16,17)
InChIKeySVINGKCKRZVCIK-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide 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-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide
CID 66090213
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-methoxyphenyl)acetamide
CID 62666127
N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide
CID 107321415
N-(2-hydroxy-3-phenylpropyl)-2-(3-methoxyphenyl)acetamide
CID 90534339
N-[2-(2-hydroxyethyl)pentyl]-2-(3-methoxyphenyl)acetamide
CID 103722794
N-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide
CID 106130409
N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 81049875
N-[2-(2-aminoethyl)pentyl]-2-(3-methoxyphenyl)acetamide
CID 106116064
N-(4-chloro-2-methylbutyl)-2-(4-methylphenyl)acetamide
CID 114306229
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670
N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide
CID 114306028
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)acetamide
CID 110888834

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide (CID 113273646) is N-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NCC(C)CCCl)c1.
What is the InChIKey of N-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is SVINGKCKRZVCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-11(6-7-15)10-16-14(17)9-12-4-3-5-13(8-12)18-2/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide?
N-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 269.77 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 113273646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).