N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2,4-difluorobenzamide

C23H24F2N2O3 — CID 46424827

IUPACN-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2,4-difluorobenzamide
SMILESCc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3ccc(F)cc3F)CC2)c(C)c1
InChIInChI=1S/C23H24F2N2O3/c1-14-3-5-18(15(2)11-14)22(29)16-7-9-27(10-8-16)21(28)13-26-23(30)19-6-4-17(24)12-20(19)25/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,26,30)
InChIKeyIZMGZMGSUURVIE-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.43
Rot. Bonds5

About N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2,4-difluorobenzamide

N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2,4-difluorobenzamide (PubChem CID 46424827) has the molecular formula C23H24F2N2O3 and a molecular weight of 414.45 g/mol. Its IUPAC name is N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2,4-difluorobenzamide
PubChem CID46424827
Molecular FormulaC23H24F2N2O3
Molecular Weight414.45 g/mol
Exact Mass414.18
IUPAC NameN-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2,4-difluorobenzamide
SMILESCc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3ccc(F)cc3F)CC2)c(C)c1
InChIInChI=1S/C23H24F2N2O3/c1-14-3-5-18(15(2)11-14)22(29)16-7-9-27(10-8-16)21(28)13-26-23(30)19-6-4-17(24)12-20(19)25/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,26,30)
InChIKeyIZMGZMGSUURVIE-UHFFFAOYSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 46401834
N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide
CID 134020822
1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone
CID 82121250
N-[3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide
CID 55376848
ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate
CID 27555474
2,4-difluoro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 24596002
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 110815318
4-hydroxy-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 103863578
2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]acetic acid
CID 166208496
3-(1,3-benzodioxol-5-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]propan-1-one
CID 31829860
1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide
CID 55593155
(2S)-2-amino-1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 67529877

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2,4-difluorobenzamide (CID 46424827) is N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2,4-difluorobenzamide is Cc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3ccc(F)cc3F)CC2)c(C)c1.
What is the InChIKey of N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2,4-difluorobenzamide?
The InChIKey is IZMGZMGSUURVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O3/c1-14-3-5-18(15(2)11-14)22(29)16-7-9-27(10-8-16)21(28)13-26-23(30)19-6-4-17(24)12-20(19)25/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,26,30).
What are the key properties of N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2,4-difluorobenzamide?
N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2,4-difluorobenzamide has a molecular weight of 414.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 46424827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).