N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide

C18H18FNO2 — CID 20969054

IUPACN-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2cc(F)ccc2C)cc1
InChIInChI=1S/C18H18FNO2/c1-12-3-6-14(7-4-12)17(21)9-10-18(22)20-16-11-15(19)8-5-13(16)2/h3-8,11H,9-10H2,1-2H3,(H,20,22)
InChIKeyDYOXXKZQNPOMLR-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.04
Rot. Bonds5

About N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide

N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide (PubChem CID 20969054) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
PubChem CID20969054
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC NameN-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2cc(F)ccc2C)cc1
InChIInChI=1S/C18H18FNO2/c1-12-3-6-14(7-4-12)17(21)9-10-18(22)20-16-11-15(19)8-5-13(16)2/h3-8,11H,9-10H2,1-2H3,(H,20,22)
InChIKeyDYOXXKZQNPOMLR-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9211912
N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 26664203
N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 55963383
N-(3-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26579364
N-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide
CID 110618430
N-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide
CID 9314118
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253
4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9040199
3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide
CID 35504455
methyl 4-methyl-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]benzoate
CID 9378196
N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 9272793

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide (CID 20969054) is N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)Nc2cc(F)ccc2C)cc1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is DYOXXKZQNPOMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-12-3-6-14(7-4-12)17(21)9-10-18(22)20-16-11-15(19)8-5-13(16)2/h3-8,11H,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide?
N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide has a molecular weight of 299.35 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 20969054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).