3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide

C11H13F3N2O — CID 43090002

IUPAC3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
SMILESNC(=O)CCNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)9-3-1-2-8(6-9)7-16-5-4-10(15)17/h1-3,6,16H,4-5,7H2,(H2,15,17)
InChIKeyXOHUETWXABTEAA-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.67
Rot. Bonds5

About 3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide

3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide (PubChem CID 43090002) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
PubChem CID43090002
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
SMILESNC(=O)CCNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)9-3-1-2-8(6-9)7-16-5-4-10(15)17/h1-3,6,16H,4-5,7H2,(H2,15,17)
InChIKeyXOHUETWXABTEAA-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 28830273
N-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 60761684
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115350323
N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 28684436
N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115592418
5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 62227696
hydroxy-[3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]carbamic acid
CID 87514540
3-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 60970958
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
methyl 2-[[3-(trifluoromethyl)phenyl]methylamino]propanoate
CID 60691144
2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 104643670
2-bromo-3-[3-(trifluoromethyl)phenyl]propanamide
CID 104513003

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide?
The IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide (CID 43090002) is 3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide.
What is the SMILES notation for 3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide?
The canonical SMILES for 3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide is NC(=O)CCNCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide?
The InChIKey is XOHUETWXABTEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)9-3-1-2-8(6-9)7-16-5-4-10(15)17/h1-3,6,16H,4-5,7H2,(H2,15,17).
What are the key properties of 3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide?
3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide has a molecular weight of 246.23 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide is sourced from PubChem (CID 43090002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).