5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide

C13H19FN2O — CID 114254673

IUPAC5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide
SMILESCc1cccc(NC(=O)C(C)CCCN)c1F
InChIInChI=1S/C13H19FN2O/c1-9-5-3-7-11(12(9)14)16-13(17)10(2)6-4-8-15/h3,5,7,10H,4,6,8,15H2,1-2H3,(H,16,17)
InChIKeyMRLCTSQPLNQQNY-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.45
Rot. Bonds5

About 5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide

5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide (PubChem CID 114254673) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide
PubChem CID114254673
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide
SMILESCc1cccc(NC(=O)C(C)CCCN)c1F
InChIInChI=1S/C13H19FN2O/c1-9-5-3-7-11(12(9)14)16-13(17)10(2)6-4-8-15/h3,5,7,10H,4,6,8,15H2,1-2H3,(H,16,17)
InChIKeyMRLCTSQPLNQQNY-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide
CID 80545256
5-amino-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pentanamide
CID 112517030
5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide
CID 104685005
5-amino-N-(4-hydroxy-2-methylphenyl)-2-methylpentanamide
CID 104685172
5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide
CID 112517031
5-amino-N-(2-bromo-4-fluorophenyl)-2-methylpentanamide
CID 104683578
2-[(5-amino-2-methylpentanoyl)amino]-5-fluorobenzoic acid
CID 112547816
5-amino-2-methyl-N-(2-methylquinolin-4-yl)pentanamide
CID 104683446
[(2S)-6-amino-1-(2-methylanilino)-1-oxohexan-2-yl]carbamic acid
CID 91260086
5-amino-N-(4-cyano-2-fluorophenyl)-2-methylpentanamide
CID 104685438
methyl 4-[(5-amino-2-methylpentanoyl)amino]-3-methylbenzoate
CID 104684128
3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide
CID 79602866

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide?
The IUPAC name of 5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide (CID 114254673) is 5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide?
The canonical SMILES for 5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide is Cc1cccc(NC(=O)C(C)CCCN)c1F.
What is the InChIKey of 5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide?
The InChIKey is MRLCTSQPLNQQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9-5-3-7-11(12(9)14)16-13(17)10(2)6-4-8-15/h3,5,7,10H,4,6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide?
5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide has a molecular weight of 238.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide is sourced from PubChem (CID 114254673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).