N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide

C19H22ClNO2 — CID 100717544

IUPACN-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCCc2ccccc2Cl)cc1C
InChIInChI=1S/C19H22ClNO2/c1-14-12-15(9-10-18(14)23-2)13-19(22)21-11-5-7-16-6-3-4-8-17(16)20/h3-4,6,8-10,12H,5,7,11,13H2,1-2H3,(H,21,22)
InChIKeyCUQDLIRDVWOCHL-UHFFFAOYSA-N
MW331.84 g/mol
LogP3.95
Rot. Bonds7

About N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide

N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide (PubChem CID 100717544) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
PubChem CID100717544
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC NameN-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCCc2ccccc2Cl)cc1C
InChIInChI=1S/C19H22ClNO2/c1-14-12-15(9-10-18(14)23-2)13-19(22)21-11-5-7-16-6-3-4-8-17(16)20/h3-4,6,8-10,12H,5,7,11,13H2,1-2H3,(H,21,22)
InChIKeyCUQDLIRDVWOCHL-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 2679540
N-[3-(dimethylamino)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 95970771
5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methoxybenzamide
CID 100529406
2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 100632856
N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide
CID 143080123
N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100689280
N-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide
CID 43908360
2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100631897
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16985698
N-[3-(2-chlorophenyl)propyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 30222330
N-(2-benzylsulfanylethyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 100765199

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide?
The IUPAC name of N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide (CID 100717544) is N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide?
The canonical SMILES for N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide is COc1ccc(CC(=O)NCCCc2ccccc2Cl)cc1C.
What is the InChIKey of N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide?
The InChIKey is CUQDLIRDVWOCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-14-12-15(9-10-18(14)23-2)13-19(22)21-11-5-7-16-6-3-4-8-17(16)20/h3-4,6,8-10,12H,5,7,11,13H2,1-2H3,(H,21,22).
What are the key properties of N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide?
N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide has a molecular weight of 331.84 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide is sourced from PubChem (CID 100717544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).