5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide

C13H17F2N3O2 — CID 61155996

IUPAC5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C13H17F2N3O2/c1-13(2,3)10(16)12(20)18-9-4-6(11(17)19)7(14)5-8(9)15/h4-5,10H,16H2,1-3H3,(H2,17,19)(H,18,20)/t10-/m1/s1
InChIKeyAJMAOYPNJYPIOY-SNVBAGLBSA-N
MW285.29 g/mol
LogP1.38
Rot. Bonds3

About 5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide

5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide (PubChem CID 61155996) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is 5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide
PubChem CID61155996
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC Name5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C13H17F2N3O2/c1-13(2,3)10(16)12(20)18-9-4-6(11(17)19)7(14)5-8(9)15/h4-5,10H,16H2,1-3H3,(H2,17,19)(H,18,20)/t10-/m1/s1
InChIKeyAJMAOYPNJYPIOY-SNVBAGLBSA-N
XLogP1.38
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-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

3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-fluorobenzamide;hydrochloride
CID 119727619
(2S)-2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethylbutanamide
CID 119812870
(2S)-2-amino-N-(2,4-difluoro-5-nitrophenyl)-3,3-dimethylbutanamide
CID 61178965
(2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide
CID 119798894
3-amino-4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid
CID 64897236
3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-fluoro-4-methylbenzamide
CID 103928965
(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide
CID 61148813
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide
CID 61148588
(2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide
CID 107641656
(2R)-N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
CID 103928590
N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
CID 76893268
methyl 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-fluorobenzoate
CID 61179435

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide?
The IUPAC name of 5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide (CID 61155996) is 5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide.
What is the SMILES notation for 5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide?
The canonical SMILES for 5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide is CC(C)(C)[C@H](N)C(=O)Nc1cc(C(N)=O)c(F)cc1F.
What is the InChIKey of 5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide?
The InChIKey is AJMAOYPNJYPIOY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c1-13(2,3)10(16)12(20)18-9-4-6(11(17)19)7(14)5-8(9)15/h4-5,10H,16H2,1-3H3,(H2,17,19)(H,18,20)/t10-/m1/s1.
What are the key properties of 5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide?
5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide has a molecular weight of 285.29 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide is sourced from PubChem (CID 61155996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).