2-amino-N-(2-fluorophenyl)-3-methylpentanamide

C12H17FN2O — CID 24698442

IUPAC2-amino-N-(2-fluorophenyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-3-8(2)11(14)12(16)15-10-7-5-4-6-9(10)13/h4-8,11H,3,14H2,1-2H3,(H,15,16)
InChIKeyPADHCPBNERZAEB-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.14
Rot. Bonds4

About 2-amino-N-(2-fluorophenyl)-3-methylpentanamide

2-amino-N-(2-fluorophenyl)-3-methylpentanamide (PubChem CID 24698442) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-amino-N-(2-fluorophenyl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2-fluorophenyl)-3-methylpentanamide
PubChem CID24698442
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-amino-N-(2-fluorophenyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-3-8(2)11(14)12(16)15-10-7-5-4-6-9(10)13/h4-8,11H,3,14H2,1-2H3,(H,15,16)
InChIKeyPADHCPBNERZAEB-UHFFFAOYSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119262319
(2S,3S)-2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide
CID 61180794
(2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 52986036
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
(2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide
CID 61174208
2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride
CID 119673993
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-fluorobenzoic acid
CID 63188226
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256
2-amino-N-(2-benzylphenyl)-3-methylpentanamide
CID 24700723
methyl 3-[(2-amino-3-methylpentanoyl)amino]-4-fluorobenzoate
CID 43703145

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-fluorophenyl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(2-fluorophenyl)-3-methylpentanamide (CID 24698442) is 2-amino-N-(2-fluorophenyl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2-fluorophenyl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(2-fluorophenyl)-3-methylpentanamide is CCC(C)C(N)C(=O)Nc1ccccc1F.
What is the InChIKey of 2-amino-N-(2-fluorophenyl)-3-methylpentanamide?
The InChIKey is PADHCPBNERZAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-3-8(2)11(14)12(16)15-10-7-5-4-6-9(10)13/h4-8,11H,3,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-(2-fluorophenyl)-3-methylpentanamide?
2-amino-N-(2-fluorophenyl)-3-methylpentanamide has a molecular weight of 224.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-fluorophenyl)-3-methylpentanamide is sourced from PubChem (CID 24698442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).