N-[(2S)-2-amino-4-methyl-3-oxopentyl]-3-fluorobenzamide

C13H17FN2O2 — CID 168911378

IUPACN-[(2S)-2-amino-4-methyl-3-oxopentyl]-3-fluorobenzamide
SMILESCC(C)C(=O)[C@@H](N)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O2/c1-8(2)12(17)11(15)7-16-13(18)9-4-3-5-10(14)6-9/h3-6,8,11H,7,15H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyYIWBLQLFOJRGFY-NSHDSACASA-N
MW252.29 g/mol
LogP1.11
Rot. Bonds5

About N-[(2S)-2-amino-4-methyl-3-oxopentyl]-3-fluorobenzamide

N-[(2S)-2-amino-4-methyl-3-oxopentyl]-3-fluorobenzamide (PubChem CID 168911378) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-[(2S)-2-amino-4-methyl-3-oxopentyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-4-methyl-3-oxopentyl]-3-fluorobenzamide
PubChem CID168911378
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-[(2S)-2-amino-4-methyl-3-oxopentyl]-3-fluorobenzamide
SMILESCC(C)C(=O)[C@@H](N)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O2/c1-8(2)12(17)11(15)7-16-13(18)9-4-3-5-10(14)6-9/h3-6,8,11H,7,15H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyYIWBLQLFOJRGFY-NSHDSACASA-N
XLogP1.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[[(3-fluorobenzoyl)amino]methyl]butanoic acid
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N-(2-aminopropyl)-3-methylbenzamide
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CID 2168496
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
N-(3-amino-4-methoxybutyl)-3-fluorobenzamide
CID 106243471
N-(2-aminopropyl)-3,4-difluorobenzamide
CID 63732931
N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]-3-fluorobenzamide;hydrochloride
CID 119323433
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CID 80506781

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-4-methyl-3-oxopentyl]-3-fluorobenzamide?
The IUPAC name of N-[(2S)-2-amino-4-methyl-3-oxopentyl]-3-fluorobenzamide (CID 168911378) is N-[(2S)-2-amino-4-methyl-3-oxopentyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(2S)-2-amino-4-methyl-3-oxopentyl]-3-fluorobenzamide?
The canonical SMILES for N-[(2S)-2-amino-4-methyl-3-oxopentyl]-3-fluorobenzamide is CC(C)C(=O)[C@@H](N)CNC(=O)c1cccc(F)c1.
What is the InChIKey of N-[(2S)-2-amino-4-methyl-3-oxopentyl]-3-fluorobenzamide?
The InChIKey is YIWBLQLFOJRGFY-NSHDSACASA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-8(2)12(17)11(15)7-16-13(18)9-4-3-5-10(14)6-9/h3-6,8,11H,7,15H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-amino-4-methyl-3-oxopentyl]-3-fluorobenzamide?
N-[(2S)-2-amino-4-methyl-3-oxopentyl]-3-fluorobenzamide has a molecular weight of 252.29 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-4-methyl-3-oxopentyl]-3-fluorobenzamide is sourced from PubChem (CID 168911378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).