N-(5-acetyl-2-chlorophenyl)-3-(4-methylphenoxy)propanamide

C18H18ClNO3 — CID 108802815

IUPACN-(5-acetyl-2-chlorophenyl)-3-(4-methylphenoxy)propanamide
SMILESCC(=O)c1ccc(Cl)c(NC(=O)CCOc2ccc(C)cc2)c1
InChIInChI=1S/C18H18ClNO3/c1-12-3-6-15(7-4-12)23-10-9-18(22)20-17-11-14(13(2)21)5-8-16(17)19/h3-8,11H,9-10H2,1-2H3,(H,20,22)
InChIKeyVSBBVRBCJDDSDO-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.26
Rot. Bonds6

About N-(5-acetyl-2-chlorophenyl)-3-(4-methylphenoxy)propanamide

N-(5-acetyl-2-chlorophenyl)-3-(4-methylphenoxy)propanamide (PubChem CID 108802815) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-(5-acetyl-2-chlorophenyl)-3-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(5-acetyl-2-chlorophenyl)-3-(4-methylphenoxy)propanamide
PubChem CID108802815
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC NameN-(5-acetyl-2-chlorophenyl)-3-(4-methylphenoxy)propanamide
SMILESCC(=O)c1ccc(Cl)c(NC(=O)CCOc2ccc(C)cc2)c1
InChIInChI=1S/C18H18ClNO3/c1-12-3-6-15(7-4-12)23-10-9-18(22)20-17-11-14(13(2)21)5-8-16(17)19/h3-8,11H,9-10H2,1-2H3,(H,20,22)
InChIKeyVSBBVRBCJDDSDO-UHFFFAOYSA-N
XLogP4.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide
CID 7914785
4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 52662482
N-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide
CID 17034684
N-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 108808163
4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide
CID 2666396
4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide
CID 78769431
N-(3-acetamido-4-chlorophenyl)-3-(4-nitrophenoxy)propanamide
CID 86845100
4-hydroxy-3-[4-(4-methylphenoxy)butanoylamino]benzoic acid
CID 108753974
N-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide
CID 108807598
N-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide
CID 83628932
4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 2634671
4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
CID 43235603

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-chlorophenyl)-3-(4-methylphenoxy)propanamide?
The IUPAC name of N-(5-acetyl-2-chlorophenyl)-3-(4-methylphenoxy)propanamide (CID 108802815) is N-(5-acetyl-2-chlorophenyl)-3-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-(5-acetyl-2-chlorophenyl)-3-(4-methylphenoxy)propanamide?
The canonical SMILES for N-(5-acetyl-2-chlorophenyl)-3-(4-methylphenoxy)propanamide is CC(=O)c1ccc(Cl)c(NC(=O)CCOc2ccc(C)cc2)c1.
What is the InChIKey of N-(5-acetyl-2-chlorophenyl)-3-(4-methylphenoxy)propanamide?
The InChIKey is VSBBVRBCJDDSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-12-3-6-15(7-4-12)23-10-9-18(22)20-17-11-14(13(2)21)5-8-16(17)19/h3-8,11H,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-(5-acetyl-2-chlorophenyl)-3-(4-methylphenoxy)propanamide?
N-(5-acetyl-2-chlorophenyl)-3-(4-methylphenoxy)propanamide has a molecular weight of 331.80 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-chlorophenyl)-3-(4-methylphenoxy)propanamide is sourced from PubChem (CID 108802815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).