N-[2,4-bis(4-chlorophenyl)-4-oxobutan-2-yl]acetamide

C18H17Cl2NO2 — CID 102590182

IUPACN-[2,4-bis(4-chlorophenyl)-4-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C)(CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl2NO2/c1-12(22)21-18(2,14-5-9-16(20)10-6-14)11-17(23)13-3-7-15(19)8-4-13/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyXXJBVHSMHMKFLZ-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.62
Rot. Bonds5

About N-[2,4-bis(4-chlorophenyl)-4-oxobutan-2-yl]acetamide

N-[2,4-bis(4-chlorophenyl)-4-oxobutan-2-yl]acetamide (PubChem CID 102590182) has the molecular formula C18H17Cl2NO2 and a molecular weight of 350.25 g/mol. Its IUPAC name is N-[2,4-bis(4-chlorophenyl)-4-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2,4-bis(4-chlorophenyl)-4-oxobutan-2-yl]acetamide
PubChem CID102590182
Molecular FormulaC18H17Cl2NO2
Molecular Weight350.25 g/mol
Exact Mass349.06
IUPAC NameN-[2,4-bis(4-chlorophenyl)-4-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C)(CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl2NO2/c1-12(22)21-18(2,14-5-9-16(20)10-6-14)11-17(23)13-3-7-15(19)8-4-13/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyXXJBVHSMHMKFLZ-UHFFFAOYSA-N
XLogP4.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Halofenozide
CID 114994
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CID 2097068
4-chloro-N-(2-oxo-2-phenylethyl)benzamide
CID 832101
4-Chloro-N-phenethylbenzamide
CID 306479
Benzamide derivative 11
CID 41306362
2-Chloro-N-(2-phenyl-propyl)-benzamide
CID 3116854
N-benzyl-4-(4-chlorophenyl)-4-oxobutanamide
CID 2379578
4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]benzamide
CID 732479
4-Chloro-N-cyclohexylbenzamide
CID 225461
4-[(3R)-3-{[2-(4-chlorophenyl)-2-oxoethyl]amino}butyl]benzamide
CID 23647082
4-chloro-N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 155566273

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(4-chlorophenyl)-4-oxobutan-2-yl]acetamide?
The IUPAC name of N-[2,4-bis(4-chlorophenyl)-4-oxobutan-2-yl]acetamide (CID 102590182) is N-[2,4-bis(4-chlorophenyl)-4-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[2,4-bis(4-chlorophenyl)-4-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[2,4-bis(4-chlorophenyl)-4-oxobutan-2-yl]acetamide is CC(=O)NC(C)(CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2,4-bis(4-chlorophenyl)-4-oxobutan-2-yl]acetamide?
The InChIKey is XXJBVHSMHMKFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO2/c1-12(22)21-18(2,14-5-9-16(20)10-6-14)11-17(23)13-3-7-15(19)8-4-13/h3-10H,11H2,1-2H3,(H,21,22).
What are the key properties of N-[2,4-bis(4-chlorophenyl)-4-oxobutan-2-yl]acetamide?
N-[2,4-bis(4-chlorophenyl)-4-oxobutan-2-yl]acetamide has a molecular weight of 350.25 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(4-chlorophenyl)-4-oxobutan-2-yl]acetamide is sourced from PubChem (CID 102590182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).