N-[2,4-bis(trifluoromethyl)phenyl]butanamide

C12H11F6NO — CID 90927396

IUPACN-[2,4-bis(trifluoromethyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C12H11F6NO/c1-2-3-10(20)19-9-5-4-7(11(13,14)15)6-8(9)12(16,17)18/h4-6H,2-3H2,1H3,(H,19,20)
InChIKeyJBOACXAHRGOKIO-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.46
Rot. Bonds3

About N-[2,4-bis(trifluoromethyl)phenyl]butanamide

N-[2,4-bis(trifluoromethyl)phenyl]butanamide (PubChem CID 90927396) has the molecular formula C12H11F6NO and a molecular weight of 299.21 g/mol. Its IUPAC name is N-[2,4-bis(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2,4-bis(trifluoromethyl)phenyl]butanamide
PubChem CID90927396
Molecular FormulaC12H11F6NO
Molecular Weight299.21 g/mol
Exact Mass299.07
IUPAC NameN-[2,4-bis(trifluoromethyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C12H11F6NO/c1-2-3-10(20)19-9-5-4-7(11(13,14)15)6-8(9)12(16,17)18/h4-6H,2-3H2,1H3,(H,19,20)
InChIKeyJBOACXAHRGOKIO-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
CID 64590919
3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride
CID 119893579
2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide
CID 139521347
3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide
CID 119290966
4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide
CID 119290972
N-[2-fluoro-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]butanamide
CID 10066693
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide
CID 109033185
N-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]butanamide
CID 91566121
4-oxo-4-[4-(propanoylamino)-2-(trifluoromethyl)anilino]butanoic acid
CID 163794204
2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119893557
2-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 119290968
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 48524701

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-[2,4-bis(trifluoromethyl)phenyl]butanamide (CID 90927396) is N-[2,4-bis(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-[2,4-bis(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-[2,4-bis(trifluoromethyl)phenyl]butanamide is CCCC(=O)Nc1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of N-[2,4-bis(trifluoromethyl)phenyl]butanamide?
The InChIKey is JBOACXAHRGOKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F6NO/c1-2-3-10(20)19-9-5-4-7(11(13,14)15)6-8(9)12(16,17)18/h4-6H,2-3H2,1H3,(H,19,20).
What are the key properties of N-[2,4-bis(trifluoromethyl)phenyl]butanamide?
N-[2,4-bis(trifluoromethyl)phenyl]butanamide has a molecular weight of 299.21 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 90927396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).