5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide

C13H18FN3O2 — CID 61180404

IUPAC5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C13H18FN3O2/c1-7(2)5-11(15)13(19)17-8-3-4-10(14)9(6-8)12(16)18/h3-4,6-7,11H,5,15H2,1-2H3,(H2,16,18)(H,17,19)/t11-/m0/s1
InChIKeySFOHJKYNNRWJOS-NSHDSACASA-N
MW267.30 g/mol
LogP1.24
Rot. Bonds5

About 5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide

5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide (PubChem CID 61180404) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide
PubChem CID61180404
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C13H18FN3O2/c1-7(2)5-11(15)13(19)17-8-3-4-10(14)9(6-8)12(16)18/h3-4,6-7,11H,5,15H2,1-2H3,(H2,16,18)(H,17,19)/t11-/m0/s1
InChIKeySFOHJKYNNRWJOS-NSHDSACASA-N
XLogP1.24
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 119798173
5-(2-aminopropanoylamino)-2-fluorobenzamide
CID 43706569
5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
CID 107568539
5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide
CID 62474462
5-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-fluorobenzamide
CID 61180405
5-[(2-amino-3-methylbutanoyl)amino]-2-fluorobenzamide
CID 43706561
3-(3-carbamoyl-4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897829
(2S)-2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-methylpentanamide;hydrochloride
CID 119702982
5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide
CID 65290752
5-(3-aminobutanoylamino)-2-fluorobenzamide
CID 60837810
2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide
CID 55612429
3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide
CID 104902798

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide?
The IUPAC name of 5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide (CID 61180404) is 5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide.
What is the SMILES notation for 5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide?
The canonical SMILES for 5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide is CC(C)C[C@H](N)C(=O)Nc1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide?
The InChIKey is SFOHJKYNNRWJOS-NSHDSACASA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-7(2)5-11(15)13(19)17-8-3-4-10(14)9(6-8)12(16)18/h3-4,6-7,11H,5,15H2,1-2H3,(H2,16,18)(H,17,19)/t11-/m0/s1.
What are the key properties of 5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide?
5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide has a molecular weight of 267.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 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-fluorobenzamide is sourced from PubChem (CID 61180404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).