(E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide

C13H14F3NO — CID 127125729

IUPAC(E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide
SMILESCC(C)/C=C/C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3NO/c1-9(2)6-7-12(18)17-11-5-3-4-10(8-11)13(14,15)16/h3-9H,1-2H3,(H,17,18)/b7-6+
InChIKeyUGGREIWOMAUTJY-VOTSOKGWSA-N
MW257.25 g/mol
LogP3.86
Rot. Bonds3

About (E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide

(E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide (PubChem CID 127125729) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is (E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide
PubChem CID127125729
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name(E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide
SMILESCC(C)/C=C/C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3NO/c1-9(2)6-7-12(18)17-11-5-3-4-10(8-11)13(14,15)16/h3-9H,1-2H3,(H,17,18)/b7-6+
InChIKeyUGGREIWOMAUTJY-VOTSOKGWSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6005295
3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4583303
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1489531
4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide
CID 57294519
3-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875057
3-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4615195
2-methyl-3-sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 167244697
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 45376474
(2S)-2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 22690700
2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide
CID 78776683
(2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid
CID 78972964
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide?
The IUPAC name of (E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide (CID 127125729) is (E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide.
What is the SMILES notation for (E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide?
The canonical SMILES for (E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide is CC(C)/C=C/C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide?
The InChIKey is UGGREIWOMAUTJY-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-9(2)6-7-12(18)17-11-5-3-4-10(8-11)13(14,15)16/h3-9H,1-2H3,(H,17,18)/b7-6+.
What are the key properties of (E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide?
(E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide has a molecular weight of 257.25 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide is sourced from PubChem (CID 127125729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).