N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide

C18H18BrNO2 — CID 24643347

IUPACN-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C18H18BrNO2/c1-2-13-6-8-14(9-7-13)17(21)10-11-18(22)20-16-5-3-4-15(19)12-16/h3-9,12H,2,10-11H2,1H3,(H,20,22)
InChIKeyLDDQGEUQZIRRFP-UHFFFAOYSA-N
MW360.25 g/mol
LogP4.61
Rot. Bonds6

About N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide

N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide (PubChem CID 24643347) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide
PubChem CID24643347
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC NameN-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C18H18BrNO2/c1-2-13-6-8-14(9-7-13)17(21)10-11-18(22)20-16-5-3-4-15(19)12-16/h3-9,12H,2,10-11H2,1H3,(H,20,22)
InChIKeyLDDQGEUQZIRRFP-UHFFFAOYSA-N
XLogP4.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 86979131
N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide
CID 19173838
4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide
CID 27699850
N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide
CID 108522318
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone
CID 60797716
4-(4-ethylphenyl)-4-oxo-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 34549027
4-(4-bromophenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide
CID 27334715
N-(3-bromophenyl)heptanamide
CID 4596383
N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680
N-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 113000546
N-(3-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26579364

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide?
The IUPAC name of N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide (CID 24643347) is N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide is CCc1ccc(C(=O)CCC(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide?
The InChIKey is LDDQGEUQZIRRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-2-13-6-8-14(9-7-13)17(21)10-11-18(22)20-16-5-3-4-15(19)12-16/h3-9,12H,2,10-11H2,1H3,(H,20,22).
What are the key properties of N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide?
N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide has a molecular weight of 360.25 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 24643347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).