3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide

C12H14F3NO2 — CID 110480450

IUPAC3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCOCCC(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-18-7-6-11(17)16-8-9-4-2-3-5-10(9)12(13,14)15/h2-5H,6-8H2,1H3,(H,16,17)
InChIKeyBVWCBNSXOVSDIE-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.36
Rot. Bonds5

About 3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide

3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 110480450) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID110480450
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCOCCC(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-18-7-6-11(17)16-8-9-4-2-3-5-10(9)12(13,14)15/h2-5H,6-8H2,1H3,(H,16,17)
InChIKeyBVWCBNSXOVSDIE-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 126520228
2-(2-methoxyethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 79282836
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide
CID 110924169
N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 20968994
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
6-(methylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide
CID 167116783
5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 82010760
N-[(2S)-2-hydroxy-3-methoxypropyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 97237905
2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 112686778
N-(2-methoxyethoxy)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 82714629
4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 62879951
2-(ethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55129029

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide (CID 110480450) is 3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide is COCCC(=O)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is BVWCBNSXOVSDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-18-7-6-11(17)16-8-9-4-2-3-5-10(9)12(13,14)15/h2-5H,6-8H2,1H3,(H,16,17).
What are the key properties of 3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 261.24 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 110480450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).