N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexa-2,4-dienamide

C15H16F3NO — CID 102603438

IUPACN-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexa-2,4-dienamide
SMILESCC=CC=CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3NO/c1-3-4-5-6-14(20)19(2)11-12-7-9-13(10-8-12)15(16,17)18/h3-10H,11H2,1-2H3
InChIKeyCVCRPTUISLMVQA-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.80
Rot. Bonds4

About N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexa-2,4-dienamide

N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexa-2,4-dienamide (PubChem CID 102603438) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexa-2,4-dienamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexa-2,4-dienamide
PubChem CID102603438
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC NameN-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexa-2,4-dienamide
SMILESCC=CC=CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3NO/c1-3-4-5-6-14(20)19(2)11-12-7-9-13(10-8-12)15(16,17)18/h3-10H,11H2,1-2H3
InChIKeyCVCRPTUISLMVQA-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methylhexa-2,4-dienamide
CID 60636157
(E)-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 35596876
N-methyl-4-[[methyl-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]methyl]benzamide
CID 8966054
N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 90694637
(E)-N-methyl-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 27006722
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropanoic acid
CID 62231889
[4-(trifluoromethyl)phenyl] N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 177453696
ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 60636161
2-amino-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide
CID 61259468
(E)-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-one
CID 103453232
2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55330788
N-[(3,4-difluorophenyl)methyl]-N-methylbut-2-enamide
CID 112725264

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexa-2,4-dienamide?
The IUPAC name of N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexa-2,4-dienamide (CID 102603438) is N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexa-2,4-dienamide.
What is the SMILES notation for N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexa-2,4-dienamide?
The canonical SMILES for N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexa-2,4-dienamide is CC=CC=CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexa-2,4-dienamide?
The InChIKey is CVCRPTUISLMVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-3-4-5-6-14(20)19(2)11-12-7-9-13(10-8-12)15(16,17)18/h3-10H,11H2,1-2H3.
What are the key properties of N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexa-2,4-dienamide?
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexa-2,4-dienamide has a molecular weight of 283.29 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexa-2,4-dienamide is sourced from PubChem (CID 102603438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).