N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide

C17H15ClFNO2 — CID 20969055

IUPACN-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H15ClFNO2/c1-11-2-4-12(5-3-11)16(21)8-9-17(22)20-13-6-7-15(19)14(18)10-13/h2-7,10H,8-9H2,1H3,(H,20,22)
InChIKeyZZJDQPLGYOXVBP-UHFFFAOYSA-N
MW319.76 g/mol
LogP4.39
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide

N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide (PubChem CID 20969055) has the molecular formula C17H15ClFNO2 and a molecular weight of 319.76 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
PubChem CID20969055
Molecular FormulaC17H15ClFNO2
Molecular Weight319.76 g/mol
Exact Mass319.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H15ClFNO2/c1-11-2-4-12(5-3-11)16(21)8-9-17(22)20-13-6-7-15(19)14(18)10-13/h2-7,10H,8-9H2,1H3,(H,20,22)
InChIKeyZZJDQPLGYOXVBP-UHFFFAOYSA-N
XLogP4.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.76
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 9165977
N-(3-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26579364
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
N-(3,4-difluorophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9165788
4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide
CID 108808181
N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 94322030
[2-(3,4-dichloroanilino)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate
CID 18285817
N-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796648
2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9079945
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197
4-chloro-N-(3-chloro-4-fluorophenyl)butanamide
CID 3442191

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide (CID 20969055) is N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is ZZJDQPLGYOXVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO2/c1-11-2-4-12(5-3-11)16(21)8-9-17(22)20-13-6-7-15(19)14(18)10-13/h2-7,10H,8-9H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide?
N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide has a molecular weight of 319.76 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 20969055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).