N-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide

C18H17Cl2NO2 — CID 108796648

IUPACN-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C
InChIInChI=1S/C18H17Cl2NO2/c1-11-3-4-13(9-12(11)2)17(22)7-8-18(23)21-14-5-6-15(19)16(20)10-14/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)
InChIKeyWSBWIGDONCITOG-UHFFFAOYSA-N
MW350.25 g/mol
LogP5.21
Rot. Bonds5

About N-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide

N-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide (PubChem CID 108796648) has the molecular formula C18H17Cl2NO2 and a molecular weight of 350.25 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
PubChem CID108796648
Molecular FormulaC18H17Cl2NO2
Molecular Weight350.25 g/mol
Exact Mass349.06
IUPAC NameN-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C
InChIInChI=1S/C18H17Cl2NO2/c1-11-3-4-13(9-12(11)2)17(22)7-8-18(23)21-14-5-6-15(19)16(20)10-14/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)
InChIKeyWSBWIGDONCITOG-UHFFFAOYSA-N
XLogP5.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.25
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 55991884
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411502
4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9040199
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 29198112
N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 9272793
N-(3-acetamido-4-methoxyphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 35347912
N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969055
2-(3,4-dichlorophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 8743954
N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2402359
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9412782
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
N-[(4-acetamidophenyl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 18154236

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide (CID 108796648) is N-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide?
The InChIKey is WSBWIGDONCITOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO2/c1-11-3-4-13(9-12(11)2)17(22)7-8-18(23)21-14-5-6-15(19)16(20)10-14/h3-6,9-10H,7-8H2,1-2H3,(H,21,23).
What are the key properties of N-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide?
N-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide has a molecular weight of 350.25 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 108796648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).