N-[2-(3-acetylphenyl)propan-2-yl]-2-(4-chlorophenyl)acetamide

C19H20ClNO2 — CID 70850946

IUPACN-[2-(3-acetylphenyl)propan-2-yl]-2-(4-chlorophenyl)acetamide
SMILESCC(=O)c1cccc(C(C)(C)NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H20ClNO2/c1-13(22)15-5-4-6-16(12-15)19(2,3)21-18(23)11-14-7-9-17(20)10-8-14/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyMGQOYFQBTSTVOK-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.14
Rot. Bonds5

About N-[2-(3-acetylphenyl)propan-2-yl]-2-(4-chlorophenyl)acetamide

N-[2-(3-acetylphenyl)propan-2-yl]-2-(4-chlorophenyl)acetamide (PubChem CID 70850946) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is N-[2-(3-acetylphenyl)propan-2-yl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-acetylphenyl)propan-2-yl]-2-(4-chlorophenyl)acetamide
PubChem CID70850946
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC NameN-[2-(3-acetylphenyl)propan-2-yl]-2-(4-chlorophenyl)acetamide
SMILESCC(=O)c1cccc(C(C)(C)NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H20ClNO2/c1-13(22)15-5-4-6-16(12-15)19(2,3)21-18(23)11-14-7-9-17(20)10-8-14/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyMGQOYFQBTSTVOK-UHFFFAOYSA-N
XLogP4.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetylphenyl)propan-2-yl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[2-(3-acetylphenyl)propan-2-yl]-2-(4-chlorophenyl)acetamide (CID 70850946) is N-[2-(3-acetylphenyl)propan-2-yl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-(3-acetylphenyl)propan-2-yl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[2-(3-acetylphenyl)propan-2-yl]-2-(4-chlorophenyl)acetamide is CC(=O)c1cccc(C(C)(C)NC(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(3-acetylphenyl)propan-2-yl]-2-(4-chlorophenyl)acetamide?
The InChIKey is MGQOYFQBTSTVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-13(22)15-5-4-6-16(12-15)19(2,3)21-18(23)11-14-7-9-17(20)10-8-14/h4-10,12H,11H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(3-acetylphenyl)propan-2-yl]-2-(4-chlorophenyl)acetamide?
N-[2-(3-acetylphenyl)propan-2-yl]-2-(4-chlorophenyl)acetamide has a molecular weight of 329.83 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetylphenyl)propan-2-yl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 70850946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).