5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluoro-N,N-dimethylbenzamide;hydrochloride

C15H23ClFN3O2 — CID 119798173

IUPAC5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluoro-N,N-dimethylbenzamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1.Cl
InChIInChI=1S/C15H22FN3O2.ClH/c1-9(2)7-13(17)14(20)18-10-5-6-12(16)11(8-10)15(21)19(3)4;/h5-6,8-9,13H,7,17H2,1-4H3,(H,18,20);1H/t13-;/m0./s1
InChIKeyDGIROFZBGWNXEZ-ZOWNYOTGSA-N
MW331.82 g/mol
LogP2.26
Rot. Bonds5

About 5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluoro-N,N-dimethylbenzamide;hydrochloride

5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluoro-N,N-dimethylbenzamide;hydrochloride (PubChem CID 119798173) has the molecular formula C15H23ClFN3O2 and a molecular weight of 331.82 g/mol. Its IUPAC name is 5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluoro-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluoro-N,N-dimethylbenzamide;hydrochloride
PubChem CID119798173
Molecular FormulaC15H23ClFN3O2
Molecular Weight331.82 g/mol
Exact Mass331.15
IUPAC Name5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluoro-N,N-dimethylbenzamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1.Cl
InChIInChI=1S/C15H22FN3O2.ClH/c1-9(2)7-13(17)14(20)18-10-5-6-12(16)11(8-10)15(21)19(3)4;/h5-6,8-9,13H,7,17H2,1-4H3,(H,18,20);1H/t13-;/m0./s1
InChIKeyDGIROFZBGWNXEZ-ZOWNYOTGSA-N
XLogP2.26
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide
CID 61180404
5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 119798147
(2S)-2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-methylpentanamide;hydrochloride
CID 119702982
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide
CID 115377243
5-(2-aminobutanoylamino)-2-fluorobenzoic acid
CID 43712184
2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide
CID 54862641
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-hydroxybenzoic acid
CID 61159275
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
(2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide
CID 119885345
(2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide
CID 107701657
5-[(2-amino-3-methylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide;hydrochloride
CID 119286908
5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
CID 107568539

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluoro-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluoro-N,N-dimethylbenzamide;hydrochloride (CID 119798173) is 5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluoro-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluoro-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluoro-N,N-dimethylbenzamide;hydrochloride is CC(C)C[C@H](N)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1.Cl.
What is the InChIKey of 5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluoro-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is DGIROFZBGWNXEZ-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H22FN3O2.ClH/c1-9(2)7-13(17)14(20)18-10-5-6-12(16)11(8-10)15(21)19(3)4;/h5-6,8-9,13H,7,17H2,1-4H3,(H,18,20);1H/t13-;/m0./s1.
What are the key properties of 5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluoro-N,N-dimethylbenzamide;hydrochloride?
5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluoro-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 331.82 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluoro-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 119798173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).