4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide

C13H16F3NO2 — CID 126520228

IUPAC4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCOCCCC(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-19-8-4-7-12(18)17-9-10-5-2-3-6-11(10)13(14,15)16/h2-3,5-6H,4,7-9H2,1H3,(H,17,18)
InChIKeyKCTMPAJRPPVPPI-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.75
Rot. Bonds6

About 4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide

4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 126520228) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID126520228
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCOCCCC(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-19-8-4-7-12(18)17-9-10-5-2-3-6-11(10)13(14,15)16/h2-3,5-6H,4,7-9H2,1H3,(H,17,18)
InChIKeyKCTMPAJRPPVPPI-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480450
2-(2-methoxyethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 79282836
6-(methylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide
CID 167116783
4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 62879951
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
6-(methylideneamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide
CID 164530484
N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 20968994
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
2-(ethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55129029

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide (CID 126520228) is 4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide is COCCCC(=O)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is KCTMPAJRPPVPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-19-8-4-7-12(18)17-9-10-5-2-3-6-11(10)13(14,15)16/h2-3,5-6H,4,7-9H2,1H3,(H,17,18).
What are the key properties of 4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide?
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 275.27 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 126520228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).