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

C18H20ClNO2 — CID 100632856

IUPAC2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide
SMILESCOc1ccc(CCCNC(=O)Cc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-22-16-10-8-14(9-11-16)5-4-12-20-18(21)13-15-6-2-3-7-17(15)19/h2-3,6-11H,4-5,12-13H2,1H3,(H,20,21)
InChIKeyVDIOXYWLUZEFDF-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.64
Rot. Bonds7

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

2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide (PubChem CID 100632856) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide
PubChem CID100632856
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide
SMILESCOc1ccc(CCCNC(=O)Cc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-22-16-10-8-14(9-11-16)5-4-12-20-18(21)13-15-6-2-3-7-17(15)19/h2-3,6-11H,4-5,12-13H2,1H3,(H,20,21)
InChIKeyVDIOXYWLUZEFDF-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.64
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-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100631897
N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100516355
N-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55919627
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 2397896
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985536
2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 110288651
2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 119299625
N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100717544
N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide
CID 75531511
N-[3-(2-ethoxyphenyl)propyl]-2-(4-methoxyphenyl)acetamide
CID 92673607
N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide
CID 61219066
2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7769079

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide (CID 100632856) is 2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide is COc1ccc(CCCNC(=O)Cc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide?
The InChIKey is VDIOXYWLUZEFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-22-16-10-8-14(9-11-16)5-4-12-20-18(21)13-15-6-2-3-7-17(15)19/h2-3,6-11H,4-5,12-13H2,1H3,(H,20,21).
What are the key properties of 2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide?
2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide has a molecular weight of 317.82 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 100632856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).