N-(3-acetylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide

C18H18ClNO2 — CID 110438653

IUPACN-(3-acetylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H18ClNO2/c1-12(21)13-6-4-9-16(10-13)20-17(22)18(2,3)14-7-5-8-15(19)11-14/h4-11H,1-3H3,(H,20,22)
InChIKeyKCGJVWIWEKJCDS-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.46
Rot. Bonds4

About N-(3-acetylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide

N-(3-acetylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide (PubChem CID 110438653) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide
PubChem CID110438653
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC NameN-(3-acetylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H18ClNO2/c1-12(21)13-6-4-9-16(10-13)20-17(22)18(2,3)14-7-5-8-15(19)11-14/h4-11H,1-3H3,(H,20,22)
InChIKeyKCGJVWIWEKJCDS-UHFFFAOYSA-N
XLogP4.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide
CID 110438675
N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide
CID 81484636
2-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-2-methylpropanamide
CID 113197795
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836
N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide
CID 108969722
3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 17102477
1-N'-(3-acetylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982529
2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide
CID 126828995
N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide
CID 110439547
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
2-(3-chlorophenyl)-2-methyl-N-propylpropanamide
CID 110437628

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide?
The IUPAC name of N-(3-acetylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide (CID 110438653) is N-(3-acetylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide is CC(=O)c1cccc(NC(=O)C(C)(C)c2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide?
The InChIKey is KCGJVWIWEKJCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-12(21)13-6-4-9-16(10-13)20-17(22)18(2,3)14-7-5-8-15(19)11-14/h4-11H,1-3H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide?
N-(3-acetylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide has a molecular weight of 315.80 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide is sourced from PubChem (CID 110438653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).