ethane;N-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]propanamide

C13H17F4NO — CID 166140446

IUPACethane;N-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]propanamide
SMILESCC.CCC(=O)Nc1ccc(C(F)(F)F)c(F)c1C
InChIInChI=1S/C11H11F4NO.C2H6/c1-3-9(17)16-8-5-4-7(11(13,14)15)10(12)6(8)2;1-2/h4-5H,3H2,1-2H3,(H,16,17);1-2H3
InChIKeyVBQNLXOVRMQOKC-UHFFFAOYSA-N
MW279.28 g/mol
LogP4.53
Rot. Bonds2

About ethane;N-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]propanamide

ethane;N-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]propanamide (PubChem CID 166140446) has the molecular formula C13H17F4NO and a molecular weight of 279.28 g/mol. Its IUPAC name is ethane;N-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Nameethane;N-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]propanamide
PubChem CID166140446
Molecular FormulaC13H17F4NO
Molecular Weight279.28 g/mol
Exact Mass279.12
IUPAC Nameethane;N-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]propanamide
SMILESCC.CCC(=O)Nc1ccc(C(F)(F)F)c(F)c1C
InChIInChI=1S/C11H11F4NO.C2H6/c1-3-9(17)16-8-5-4-7(11(13,14)15)10(12)6(8)2;1-2/h4-5H,3H2,1-2H3,(H,16,17);1-2H3
InChIKeyVBQNLXOVRMQOKC-UHFFFAOYSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-methyl-3-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]phenyl]propanamide
CID 47077586
N-(3-chloro-4-fluoro-2-methylphenyl)propanamide
CID 159195412
N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide
CID 60705592
bis[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 139698650
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
N-[4-[4-chloro-2-(trifluoromethyl)anilino]phenyl]propanamide
CID 112989530
4-oxo-4-[4-(propanoylamino)-2-(trifluoromethyl)anilino]butanoic acid
CID 163794204
2-(propanoylamino)-5-[2-(trifluoromethyl)anilino]benzoic acid
CID 22033709
N-(2,3-dimethyl-4-pyridinyl)propanamide
CID 126992477
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639
N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide
CID 112556165
N-(4,5-difluoro-2-methylphenyl)propanamide
CID 154643466

Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of ethane;N-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]propanamide (CID 166140446) is ethane;N-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for ethane;N-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for ethane;N-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]propanamide is CC.CCC(=O)Nc1ccc(C(F)(F)F)c(F)c1C.
What is the InChIKey of ethane;N-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is VBQNLXOVRMQOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO.C2H6/c1-3-9(17)16-8-5-4-7(11(13,14)15)10(12)6(8)2;1-2/h4-5H,3H2,1-2H3,(H,16,17);1-2H3.
What are the key properties of ethane;N-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]propanamide?
ethane;N-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 279.28 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 166140446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).