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

C20H24ClNO2 — CID 50874755

IUPAC2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
SMILESCC(C)Oc1ccc(CCCNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClNO2/c1-15(2)24-19-11-7-16(8-12-19)4-3-13-22-20(23)14-17-5-9-18(21)10-6-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,23)
InChIKeyYEBUDLHOEKZICZ-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.42
Rot. Bonds8

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

2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide (PubChem CID 50874755) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
PubChem CID50874755
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
SMILESCC(C)Oc1ccc(CCCNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClNO2/c1-15(2)24-19-11-7-16(8-12-19)4-3-13-22-20(23)14-17-5-9-18(21)10-6-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,23)
InChIKeyYEBUDLHOEKZICZ-UHFFFAOYSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.42
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-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 99993692
N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 38019898
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108572718
N-[3-(4-propan-2-yloxyphenyl)propyl]-2-thiophen-2-ylacetamide
CID 100672361
N-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide
CID 39426671
2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 43876417
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 30214045
4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid
CID 94966713
2-chloro-4-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide
CID 100521910
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 30206906
2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 132651550
2-(4-methoxyphenyl)sulfanyl-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 92683988

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide (CID 50874755) is 2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide is CC(C)Oc1ccc(CCCNC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide?
The InChIKey is YEBUDLHOEKZICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-15(2)24-19-11-7-16(8-12-19)4-3-13-22-20(23)14-17-5-9-18(21)10-6-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide?
2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide has a molecular weight of 345.87 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide is sourced from PubChem (CID 50874755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).