N-[(2S)-1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide

C20H22F2N2O2 — CID 9138404

IUPACN-[(2S)-1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
SMILESCc1ccc(NC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)c(C)c1
InChIInChI=1S/C20H22F2N2O2/c1-11(2)18(20(26)23-16-9-8-12(3)10-13(16)4)24-19(25)17-14(21)6-5-7-15(17)22/h5-11,18H,1-4H3,(H,23,26)(H,24,25)/t18-/m0/s1
InChIKeyVABIRWLVADRDIJ-SFHVURJKSA-N
MW360.40 g/mol
LogP3.97
Rot. Bonds5

About N-[(2S)-1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide

N-[(2S)-1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide (PubChem CID 9138404) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is N-[(2S)-1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
PubChem CID9138404
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC NameN-[(2S)-1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
SMILESCc1ccc(NC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)c(C)c1
InChIInChI=1S/C20H22F2N2O2/c1-11(2)18(20(26)23-16-9-8-12(3)10-13(16)4)24-19(25)17-14(21)6-5-7-15(17)22/h5-11,18H,1-4H3,(H,23,26)(H,24,25)/t18-/m0/s1
InChIKeyVABIRWLVADRDIJ-SFHVURJKSA-N
XLogP3.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 51148391
N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55335505
N-[1-[4-(dimethylamino)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55780216
2,6-difluoro-N-[3-methyl-1-(3-methylanilino)-1-oxobutan-2-yl]benzamide
CID 43006925
N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55335504
N-[(2S)-1-anilino-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 7024146
N-[1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 43009203
N-[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51604984
N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 112763269
2,6-difluoro-N-[3-methyl-1-oxo-1-(3-propan-2-ylanilino)butan-2-yl]benzamide
CID 43005455
N-[1-[2-[(2,3-dimethylphenyl)carbamothioyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55350899
3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 51148319

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[(2S)-1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide (CID 9138404) is N-[(2S)-1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[(2S)-1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[(2S)-1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide is Cc1ccc(NC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)c(C)c1.
What is the InChIKey of N-[(2S)-1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
The InChIKey is VABIRWLVADRDIJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-11(2)18(20(26)23-16-9-8-12(3)10-13(16)4)24-19(25)17-14(21)6-5-7-15(17)22/h5-11,18H,1-4H3,(H,23,26)(H,24,25)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
N-[(2S)-1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide has a molecular weight of 360.40 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 9138404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).