N-(5-acetamido-2-fluorophenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide

C20H21FN2O3 — CID 134019498

IUPACN-(5-acetamido-2-fluorophenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)CCC(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C20H21FN2O3/c1-12-4-5-13(2)16(10-12)19(25)8-9-20(26)23-18-11-15(22-14(3)24)6-7-17(18)21/h4-7,10-11H,8-9H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyRWSAHCNQWDYVDN-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.00
Rot. Bonds6

About N-(5-acetamido-2-fluorophenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide

N-(5-acetamido-2-fluorophenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide (PubChem CID 134019498) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
PubChem CID134019498
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-(5-acetamido-2-fluorophenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)CCC(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C20H21FN2O3/c1-12-4-5-13(2)16(10-12)19(25)8-9-20(26)23-18-11-15(22-14(3)24)6-7-17(18)21/h4-7,10-11H,8-9H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyRWSAHCNQWDYVDN-UHFFFAOYSA-N
XLogP4.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495
N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672518
5-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-2,4-dimethylbenzoic acid
CID 120689942
4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
CID 6470807
N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 26664203
4-(2,5-dimethylphenyl)-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 26683100
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 51160449
4-(2,5-dimethylphenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-oxobutanamide
CID 9107182
N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide
CID 46686963
N-(5-acetamido-2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55551846
4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide
CID 24538133
N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide (CID 134019498) is N-(5-acetamido-2-fluorophenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide is CC(=O)Nc1ccc(F)c(NC(=O)CCC(=O)c2cc(C)ccc2C)c1.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide?
The InChIKey is RWSAHCNQWDYVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-12-4-5-13(2)16(10-12)19(25)8-9-20(26)23-18-11-15(22-14(3)24)6-7-17(18)21/h4-7,10-11H,8-9H2,1-3H3,(H,22,24)(H,23,26).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide?
N-(5-acetamido-2-fluorophenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide has a molecular weight of 356.40 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 134019498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).