2-fluoro-3-methoxy-3-phenylbutanamide

C11H14FNO2 — CID 57021177

IUPAC2-fluoro-3-methoxy-3-phenylbutanamide
SMILESCOC(C)(c1ccccc1)C(F)C(N)=O
InChIInChI=1S/C11H14FNO2/c1-11(15-2,9(12)10(13)14)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H2,13,14)
InChIKeyUBAIRAGAKBHISO-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.37
Rot. Bonds4

About 2-fluoro-3-methoxy-3-phenylbutanamide

2-fluoro-3-methoxy-3-phenylbutanamide (PubChem CID 57021177) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-3-phenylbutanamide.

Molecular Properties

Compound Name2-fluoro-3-methoxy-3-phenylbutanamide
PubChem CID57021177
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-fluoro-3-methoxy-3-phenylbutanamide
SMILESCOC(C)(c1ccccc1)C(F)C(N)=O
InChIInChI=1S/C11H14FNO2/c1-11(15-2,9(12)10(13)14)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H2,13,14)
InChIKeyUBAIRAGAKBHISO-UHFFFAOYSA-N
XLogP1.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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beta-Hydroxy-beta-phenylbenzenepropanamide
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3-Methyl-3-phenyloxirane-2-carboximidic acid
CID 32382
3-[3,5-Bis(trifluoromethyl)phenyl]-3-hydroxypentanamide
CID 11278899
(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
CID 14318226
3-Hydroxy-3-[3-(trifluoromethyl)phenyl]pentanamide
CID 24874359
Oxiranecarboxamide, 3-phenyl-, (2R,3S)-rel-
CID 10931765
3-Hydroxy-2-methyl-3-phenylpropanamide
CID 15183457
3,3,3-Trifluoro-2-methoxy-2-phenylpropanamide
CID 287241
3-Hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide
CID 24874360
3-[(3,4-Difluorophenyl)methoxy]butanamide
CID 91805047
2-[(S)-methoxy(phenyl)methyl]prop-2-enamide
CID 101229694

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxy-3-phenylbutanamide?
The IUPAC name of 2-fluoro-3-methoxy-3-phenylbutanamide (CID 57021177) is 2-fluoro-3-methoxy-3-phenylbutanamide.
What is the SMILES notation for 2-fluoro-3-methoxy-3-phenylbutanamide?
The canonical SMILES for 2-fluoro-3-methoxy-3-phenylbutanamide is COC(C)(c1ccccc1)C(F)C(N)=O.
What is the InChIKey of 2-fluoro-3-methoxy-3-phenylbutanamide?
The InChIKey is UBAIRAGAKBHISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-11(15-2,9(12)10(13)14)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H2,13,14).
What are the key properties of 2-fluoro-3-methoxy-3-phenylbutanamide?
2-fluoro-3-methoxy-3-phenylbutanamide has a molecular weight of 211.24 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxy-3-phenylbutanamide is sourced from PubChem (CID 57021177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).