(2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-4-methylpentanamide

C13H15BrFN3O — CID 67508329

IUPAC(2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-4-methylpentanamide
SMILESCC(C)C[C@@H](Nc1cc(Br)c(C#N)cc1F)C(N)=O
InChIInChI=1S/C13H15BrFN3O/c1-7(2)3-12(13(17)19)18-11-5-9(14)8(6-16)4-10(11)15/h4-5,7,12,18H,3H2,1-2H3,(H2,17,19)/t12-/m1/s1
InChIKeyJBBKPFKNWWTFKI-GFCCVEGCSA-N
MW328.19 g/mol
LogP2.77
Rot. Bonds5

About (2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-4-methylpentanamide

(2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-4-methylpentanamide (PubChem CID 67508329) has the molecular formula C13H15BrFN3O and a molecular weight of 328.19 g/mol. Its IUPAC name is (2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-4-methylpentanamide
PubChem CID67508329
Molecular FormulaC13H15BrFN3O
Molecular Weight328.19 g/mol
Exact Mass327.04
IUPAC Name(2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-4-methylpentanamide
SMILESCC(C)C[C@@H](Nc1cc(Br)c(C#N)cc1F)C(N)=O
InChIInChI=1S/C13H15BrFN3O/c1-7(2)3-12(13(17)19)18-11-5-9(14)8(6-16)4-10(11)15/h4-5,7,12,18H,3H2,1-2H3,(H2,17,19)/t12-/m1/s1
InChIKeyJBBKPFKNWWTFKI-GFCCVEGCSA-N
XLogP2.77
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-4-methylpentanamide 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

(2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-3-methoxypropanamide
CID 67508869
2-(4-bromo-2,5-difluoroanilino)butanamide
CID 107611163
2-[(5-bromo-2,4-difluorophenyl)sulfonylamino]-4-methylpentanamide
CID 174207117
(2S)-2-(2-chloro-4-nitroanilino)-4-methylpentanamide
CID 102502036
(2S)-2-[(3-bromo-4-cyanophenyl)sulfonylamino]-4-methylpentanoic acid
CID 120606461
2-[4-cyano-3-fluoro-5-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]-4-methylpentanamide
CID 67510115
4-[[(2R)-1-amino-1-oxo-3-(4-pyridin-4-ylphenyl)propan-2-yl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide;(2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-3-(4-pyridin-4-ylphenyl)propanamide;(2R)-2-[4-cyano-2-fluoro-5-[(3-methyl-1,2-thiazol-5-yl)amino]anilino]-3-(4-pyridin-4-ylphenyl)propanamide;hydrogen peroxide;3-methyl-1,2-thiazol-5-amine
CID 159901898
2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide
CID 43673793
methyl 2-(4-acetyl-2-fluoroanilino)-4-methylpentanoate
CID 62006597
methyl 2-(5-bromo-4-cyano-2-hydroxyphenyl)acetate
CID 131576437
ethyl 2-bromo-5-cyano-4-fluorobenzoate
CID 121227696
2-(4-cyano-2-fluoroanilino)propanamide
CID 43657192

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-4-methylpentanamide?
The IUPAC name of (2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-4-methylpentanamide (CID 67508329) is (2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-4-methylpentanamide.
What is the SMILES notation for (2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-4-methylpentanamide?
The canonical SMILES for (2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-4-methylpentanamide is CC(C)C[C@@H](Nc1cc(Br)c(C#N)cc1F)C(N)=O.
What is the InChIKey of (2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-4-methylpentanamide?
The InChIKey is JBBKPFKNWWTFKI-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15BrFN3O/c1-7(2)3-12(13(17)19)18-11-5-9(14)8(6-16)4-10(11)15/h4-5,7,12,18H,3H2,1-2H3,(H2,17,19)/t12-/m1/s1.
What are the key properties of (2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-4-methylpentanamide?
(2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-4-methylpentanamide has a molecular weight of 328.19 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-4-methylpentanamide is sourced from PubChem (CID 67508329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).