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

C18H20ClNO — CID 100631897

IUPAC2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
SMILESCc1ccc(CCCNC(=O)Cc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO/c1-14-8-10-15(11-9-14)5-4-12-20-18(21)13-16-6-2-3-7-17(16)19/h2-3,6-11H,4-5,12-13H2,1H3,(H,20,21)
InChIKeySGKCIKIWFJMTIS-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.94
Rot. Bonds6

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

2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide (PubChem CID 100631897) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
PubChem CID100631897
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
SMILESCc1ccc(CCCNC(=O)Cc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO/c1-14-8-10-15(11-9-14)5-4-12-20-18(21)13-16-6-2-3-7-17(16)19/h2-3,6-11H,4-5,12-13H2,1H3,(H,20,21)
InChIKeySGKCIKIWFJMTIS-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methoxyphenyl)propyl]acetamide
CID 100632856
N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 38019898
1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891006
N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide
CID 61219066
N-[3-(4-fluorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 92684324
2-(4-fluorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100706292
3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 38089852
2-methyl-N-[3-(4-methylphenyl)propyl]propanamide
CID 56920541
1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133587
2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979272
N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100717544
2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide
CID 62665870

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide (CID 100631897) is 2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide is Cc1ccc(CCCNC(=O)Cc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide?
The InChIKey is SGKCIKIWFJMTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-14-8-10-15(11-9-14)5-4-12-20-18(21)13-16-6-2-3-7-17(16)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-methylphenyl)propyl]acetamide?
2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide has a molecular weight of 301.82 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 100631897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).