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

C13H17F3N2O — CID 108993089

IUPAC2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCCCNCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c1-2-3-8-17-9-12(19)18-11-6-4-10(5-7-11)13(14,15)16/h4-7,17H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyHAHCSUDJIKGASD-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.03
Rot. Bonds6

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

2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 108993089) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID108993089
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCCCNCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c1-2-3-8-17-9-12(19)18-11-6-4-10(5-7-11)13(14,15)16/h4-7,17H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyHAHCSUDJIKGASD-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.03
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-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60648393
2-(butylamino)-N-(4-ethylphenyl)acetamide
CID 108993075
N-(4-fluorophenyl)-2-(pentylamino)acetamide
CID 28569105
2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54814618
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
N-(4-fluorophenyl)-2-(octylamino)acetamide
CID 78914389
2-(butylamino)-N-(3,4-dimethylphenyl)acetamide
CID 54815382
4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide
CID 54815422
(5Z,8Z,11Z,14Z)-N-[4-(trifluoromethyl)phenyl]icosa-5,8,11,14-tetraenamide
CID 130441271
4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54815634
4-[[2-(hexadecylamino)acetyl]amino]-N-methylbenzamide
CID 54808915
4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 4288928

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 108993089) is 2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide is CCCCNCC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HAHCSUDJIKGASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-2-3-8-17-9-12(19)18-11-6-4-10(5-7-11)13(14,15)16/h4-7,17H,2-3,8-9H2,1H3,(H,18,19).
What are the key properties of 2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 274.29 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 108993089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).