2-(4-fluoro-2-methylphenyl)-2-(propylamino)acetamide

C12H17FN2O — CID 62134138

IUPAC2-(4-fluoro-2-methylphenyl)-2-(propylamino)acetamide
SMILESCCCNC(C(N)=O)c1ccc(F)cc1C
InChIInChI=1S/C12H17FN2O/c1-3-6-15-11(12(14)16)10-5-4-9(13)7-8(10)2/h4-5,7,11,15H,3,6H2,1-2H3,(H2,14,16)
InChIKeyJBSTUZGLYLGIPW-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.66
Rot. Bonds5

About 2-(4-fluoro-2-methylphenyl)-2-(propylamino)acetamide

2-(4-fluoro-2-methylphenyl)-2-(propylamino)acetamide (PubChem CID 62134138) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-2-(propylamino)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-2-(propylamino)acetamide
PubChem CID62134138
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-(4-fluoro-2-methylphenyl)-2-(propylamino)acetamide
SMILESCCCNC(C(N)=O)c1ccc(F)cc1C
InChIInChI=1S/C12H17FN2O/c1-3-6-15-11(12(14)16)10-5-4-9(13)7-8(10)2/h4-5,7,11,15H,3,6H2,1-2H3,(H2,14,16)
InChIKeyJBSTUZGLYLGIPW-UHFFFAOYSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide
CID 107698118
2-(4-fluoro-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 62136005
2-anilino-2-(4-fluoro-2-methylphenyl)acetamide
CID 62135663
2-(2,4-dimethylphenyl)-2-(ethylamino)acetamide
CID 60786894
1-(4-fluoro-2-methylphenyl)-N-propylprop-2-en-1-amine
CID 81277074
2-(2,3-difluorophenyl)-2-(propylamino)acetamide
CID 63668774
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63419671
methyl 2-(3-azidopropylamino)-2-(4-fluoro-2-methylphenyl)acetate
CID 66189317
methyl 2-(4-fluoro-2-methylphenyl)-2-(prop-2-ynylamino)acetate
CID 62365461
N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81273573
1-(4-fluoro-2-methylphenyl)-N-propyloctan-1-amine
CID 81276836
2-naphthalen-1-yl-2-(propylamino)acetamide
CID 60796538

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-2-(propylamino)acetamide?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-2-(propylamino)acetamide (CID 62134138) is 2-(4-fluoro-2-methylphenyl)-2-(propylamino)acetamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-2-(propylamino)acetamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-2-(propylamino)acetamide is CCCNC(C(N)=O)c1ccc(F)cc1C.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-2-(propylamino)acetamide?
The InChIKey is JBSTUZGLYLGIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-3-6-15-11(12(14)16)10-5-4-9(13)7-8(10)2/h4-5,7,11,15H,3,6H2,1-2H3,(H2,14,16).
What are the key properties of 2-(4-fluoro-2-methylphenyl)-2-(propylamino)acetamide?
2-(4-fluoro-2-methylphenyl)-2-(propylamino)acetamide has a molecular weight of 224.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-2-(propylamino)acetamide is sourced from PubChem (CID 62134138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).