N-(2-amino-4-fluorophenyl)-4-methylpentanamide

C12H17FN2O — CID 28776827

IUPACN-(2-amino-4-fluorophenyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C12H17FN2O/c1-8(2)3-6-12(16)15-11-5-4-9(13)7-10(11)14/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyYRXDRMKIFPZTET-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.78
Rot. Bonds4

About N-(2-amino-4-fluorophenyl)-4-methylpentanamide

N-(2-amino-4-fluorophenyl)-4-methylpentanamide (PubChem CID 28776827) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-4-methylpentanamide
PubChem CID28776827
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC NameN-(2-amino-4-fluorophenyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C12H17FN2O/c1-8(2)3-6-12(16)15-11-5-4-9(13)7-10(11)14/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyYRXDRMKIFPZTET-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982231
N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 16795601
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935
5-fluoro-2-(4-methylpentanoylamino)benzoic acid
CID 28544126
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
N-(2-amino-4-fluorophenyl)-4-[methyl(pentan-2-yl)amino]butanamide
CID 43571694
N-(2-amino-4-fluorophenyl)-4-methoxybutanamide
CID 16785231
N-(2-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560276
N-(2-amino-4-fluorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985452
N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43568695
N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide
CID 43627663
N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 60890403

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-4-methylpentanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-4-methylpentanamide (CID 28776827) is N-(2-amino-4-fluorophenyl)-4-methylpentanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-4-methylpentanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-4-methylpentanamide is CC(C)CCC(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-4-methylpentanamide?
The InChIKey is YRXDRMKIFPZTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-8(2)3-6-12(16)15-11-5-4-9(13)7-10(11)14/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2-amino-4-fluorophenyl)-4-methylpentanamide?
N-(2-amino-4-fluorophenyl)-4-methylpentanamide has a molecular weight of 224.28 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-4-methylpentanamide is sourced from PubChem (CID 28776827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).