N-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]butanamide

C13H17F3N2O — CID 166236941

IUPACN-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(N(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-4-5-12(19)17-9-6-7-11(18(2)3)10(8-9)13(14,15)16/h6-8H,4-5H2,1-3H3,(H,17,19)
InChIKeyQLZAMVOONCPDRR-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.51
Rot. Bonds4

About N-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]butanamide

N-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]butanamide (PubChem CID 166236941) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]butanamide
PubChem CID166236941
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(N(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-4-5-12(19)17-9-6-7-11(18(2)3)10(8-9)13(14,15)16/h6-8H,4-5H2,1-3H3,(H,17,19)
InChIKeyQLZAMVOONCPDRR-UHFFFAOYSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]butanamide
CID 42747271
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-[[5-(butanoylamino)-2-(dimethylamino)phenyl]methyl]-4-fluoro-N-propylbenzamide
CID 46111096
3-[acetyl(propyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 113115089
4-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]butanamide
CID 63308876
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-propoxypropanamide
CID 65483564
4-oxo-4-[4-(propanoylamino)-2-(trifluoromethyl)anilino]butanoic acid
CID 163794204
N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]butanamide
CID 113022004
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide
CID 109032309
N-[2,4-bis(trifluoromethyl)phenyl]butanamide
CID 90927396
N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
CID 64590919
3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
CID 61229798

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]butanamide (CID 166236941) is N-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]butanamide is CCCC(=O)Nc1ccc(N(C)C)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is QLZAMVOONCPDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-4-5-12(19)17-9-6-7-11(18(2)3)10(8-9)13(14,15)16/h6-8H,4-5H2,1-3H3,(H,17,19).
What are the key properties of N-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]butanamide?
N-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 274.29 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 166236941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).