3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide

C14H17F3N2O2 — CID 108933613

IUPAC3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O2/c1-9(2)7-12(20)19-11-5-3-10(4-6-11)8-18-13(21)14(15,16)17/h3-6,9H,7-8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyCFCYPSVUGXSRCM-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.85
Rot. Bonds5

About 3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide

3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide (PubChem CID 108933613) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
PubChem CID108933613
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O2/c1-9(2)7-12(20)19-11-5-3-10(4-6-11)8-18-13(21)14(15,16)17/h3-6,9H,7-8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyCFCYPSVUGXSRCM-UHFFFAOYSA-N
XLogP2.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108933949
N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide
CID 32537851
2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide
CID 108933812
N-[2-oxo-2-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]benzamide
CID 108933635
N-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide
CID 108933649
2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 15498276
2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide
CID 75503881
2-(4-propan-2-ylphenoxy)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
CID 108933715
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108933950
2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide
CID 115190239

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide (CID 108933613) is 3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide is CC(C)CC(=O)Nc1ccc(CNC(=O)C(F)(F)F)cc1.
What is the InChIKey of 3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide?
The InChIKey is CFCYPSVUGXSRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-9(2)7-12(20)19-11-5-3-10(4-6-11)8-18-13(21)14(15,16)17/h3-6,9H,7-8H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide?
3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide has a molecular weight of 302.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide is sourced from PubChem (CID 108933613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).