4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide

C19H20FNO2 — CID 9375029

IUPAC4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NCc2ccccc2F)cc1C
InChIInChI=1S/C19H20FNO2/c1-13-7-8-15(11-14(13)2)18(22)9-10-19(23)21-12-16-5-3-4-6-17(16)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyCXTODQFNHMGBOG-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.72
Rot. Bonds6

About 4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide

4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide (PubChem CID 9375029) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide
PubChem CID9375029
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NCc2ccccc2F)cc1C
InChIInChI=1S/C19H20FNO2/c1-13-7-8-15(11-14(13)2)18(22)9-10-19(23)21-12-16-5-3-4-6-17(16)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyCXTODQFNHMGBOG-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796690
4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide
CID 94261400
4-(4-iodophenyl)-N-[(2-methylphenyl)methyl]-4-oxobutanamide
CID 9104803
4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 35009611
4-(3,4-dimethylphenyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4-oxobutanamide
CID 33022919
1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)propan-1-one
CID 94281167
4-(3,4-dimethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide
CID 32989416
N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 115139087
N-[(4-acetamidophenyl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 18154236
N-[(2-methylphenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9104253
3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 109020765
N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119679682

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide (CID 9375029) is 4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)NCc2ccccc2F)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide?
The InChIKey is CXTODQFNHMGBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-13-7-8-15(11-14(13)2)18(22)9-10-19(23)21-12-16-5-3-4-6-17(16)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of 4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide?
4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide has a molecular weight of 313.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide is sourced from PubChem (CID 9375029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).