2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide

C12H15F3N2O — CID 60648393

IUPAC2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCCNCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c1-2-7-16-8-11(18)17-10-5-3-9(4-6-10)12(13,14)15/h3-6,16H,2,7-8H2,1H3,(H,17,18)
InChIKeyQHVWBEWZNMDCTL-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.64
Rot. Bonds5

About 2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 60648393) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID60648393
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCCNCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c1-2-7-16-8-11(18)17-10-5-3-9(4-6-10)12(13,14)15/h3-6,16H,2,7-8H2,1H3,(H,17,18)
InChIKeyQHVWBEWZNMDCTL-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.64
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

2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108993089
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide
CID 54818859
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide
CID 63035996
N-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide
CID 54818586
N-[4-(diethylamino)phenyl]-2-(propylamino)acetamide
CID 60648364
2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108994837
2,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]propanamide
CID 771812
2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide
CID 112999463
2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109006608
3,3-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide
CID 60565839
2-amino-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]acetamide
CID 60848088

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 60648393) is 2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide is CCCNCC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QHVWBEWZNMDCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-2-7-16-8-11(18)17-10-5-3-9(4-6-10)12(13,14)15/h3-6,16H,2,7-8H2,1H3,(H,17,18).
What are the key properties of 2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 260.26 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 60648393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).