2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide

C11H15FN2O2 — CID 107698118

IUPAC2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide
SMILESCCCNC(C(N)=O)c1cc(F)ccc1O
InChIInChI=1S/C11H15FN2O2/c1-2-5-14-10(11(13)16)8-6-7(12)3-4-9(8)15/h3-4,6,10,14-15H,2,5H2,1H3,(H2,13,16)
InChIKeyHNCPFBGRSPAUNF-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.06
Rot. Bonds5

About 2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide

2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide (PubChem CID 107698118) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide
PubChem CID107698118
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide
SMILESCCCNC(C(N)=O)c1cc(F)ccc1O
InChIInChI=1S/C11H15FN2O2/c1-2-5-14-10(11(13)16)8-6-7(12)3-4-9(8)15/h3-4,6,10,14-15H,2,5H2,1H3,(H2,13,16)
InChIKeyHNCPFBGRSPAUNF-UHFFFAOYSA-N
XLogP1.06
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluoro-2-methylphenyl)-2-(propylamino)acetamide
CID 62134138
2-(ethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetic acid
CID 107698104
2-(5-fluoro-2-hydroxyphenyl)-2-(4-methylanilino)acetamide
CID 107698125
ethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate
CID 107698194
2-(2,3-difluorophenyl)-2-(propylamino)acetamide
CID 63668774
2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 107698106
2-(2,5-difluorophenyl)-2-(2-methylpropylamino)acetamide
CID 54891273
2-(2-bromoanilino)-2-(5-fluoro-2-hydroxyphenyl)acetamide
CID 107698134
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
2-[2-[[2-amino-1-(2-hydroxyphenyl)-2-oxoethyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 71300819
2-naphthalen-1-yl-2-(propylamino)acetamide
CID 60796538
2-(ethylamino)-2-(2-hydroxyphenyl)acetamide
CID 116684884

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide?
The IUPAC name of 2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide (CID 107698118) is 2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide.
What is the SMILES notation for 2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide?
The canonical SMILES for 2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide is CCCNC(C(N)=O)c1cc(F)ccc1O.
What is the InChIKey of 2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide?
The InChIKey is HNCPFBGRSPAUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-2-5-14-10(11(13)16)8-6-7(12)3-4-9(8)15/h3-4,6,10,14-15H,2,5H2,1H3,(H2,13,16).
What are the key properties of 2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide?
2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide has a molecular weight of 226.25 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide is sourced from PubChem (CID 107698118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).