3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide

C11H12F3NO2 — CID 51076753

IUPAC3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)CC(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2/c1-17-9-4-2-3-8(5-9)7-15-10(16)6-11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeyQCWLZTUJSDZDRH-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.26
Rot. Bonds4

About 3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide

3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 51076753) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID51076753
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)CC(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2/c1-17-9-4-2-3-8(5-9)7-15-10(16)6-11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeyQCWLZTUJSDZDRH-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914710
ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide
CID 143097704
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
3-[(3,3,3-trifluoropropanoylamino)methyl]benzoic acid
CID 60894410
2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
CID 55134556
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
3-amino-5,5,5-trifluoro-N-[(3-methoxyphenyl)methyl]-2-oxopentanamide
CID 21259011
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide (CID 51076753) is 3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide is COc1cccc(CNC(=O)CC(F)(F)F)c1.
What is the InChIKey of 3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is QCWLZTUJSDZDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-17-9-4-2-3-8(5-9)7-15-10(16)6-11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16).
What are the key properties of 3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide?
3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 247.22 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 51076753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).