2-(4-fluoro-2-methylphenyl)-2-(propan-2-ylamino)acetamide

C12H17FN2O — CID 62136005

IUPAC2-(4-fluoro-2-methylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCc1cc(F)ccc1C(NC(C)C)C(N)=O
InChIInChI=1S/C12H17FN2O/c1-7(2)15-11(12(14)16)10-5-4-9(13)6-8(10)3/h4-7,11,15H,1-3H3,(H2,14,16)
InChIKeyFCMDMTSVDYSQBI-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.66
Rot. Bonds4

About 2-(4-fluoro-2-methylphenyl)-2-(propan-2-ylamino)acetamide

2-(4-fluoro-2-methylphenyl)-2-(propan-2-ylamino)acetamide (PubChem CID 62136005) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-2-(propan-2-ylamino)acetamide
PubChem CID62136005
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-(4-fluoro-2-methylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCc1cc(F)ccc1C(NC(C)C)C(N)=O
InChIInChI=1S/C12H17FN2O/c1-7(2)15-11(12(14)16)10-5-4-9(13)6-8(10)3/h4-7,11,15H,1-3H3,(H2,14,16)
InChIKeyFCMDMTSVDYSQBI-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-2-methylphenyl)-2-(propylamino)acetamide
CID 62134138
2-anilino-2-(4-fluoro-2-methylphenyl)acetamide
CID 62135663
2-(5-chloro-2-fluorophenyl)-2-(propan-2-ylamino)acetamide
CID 114843526
methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
2-anilino-2-(4-fluoro-2-methylphenyl)acetic acid
CID 62136008
methyl 2-(4-fluoro-2-methylphenyl)-2-(prop-2-ynylamino)acetate
CID 62365461
2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 107698106
methyl 2-[(4-fluoro-2-methylphenyl)-hydroxymethyl]-3-methylbutanoate
CID 62396569
(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131387020
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
[(2S,3S)-3-(4-fluoro-2-methylphenyl)butan-2-yl] (2S)-2-aminopropanoate
CID 139472869

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-2-(propan-2-ylamino)acetamide (CID 62136005) is 2-(4-fluoro-2-methylphenyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-2-(propan-2-ylamino)acetamide is Cc1cc(F)ccc1C(NC(C)C)C(N)=O.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is FCMDMTSVDYSQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-7(2)15-11(12(14)16)10-5-4-9(13)6-8(10)3/h4-7,11,15H,1-3H3,(H2,14,16).
What are the key properties of 2-(4-fluoro-2-methylphenyl)-2-(propan-2-ylamino)acetamide?
2-(4-fluoro-2-methylphenyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 224.28 g/mol, XLogP of 1.66, 4 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-(propan-2-ylamino)acetamide is sourced from PubChem (CID 62136005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).