N-benzyl-2-prop-2-enyl-5-(trifluoromethyl)benzamide

C18H16F3NO — CID 132601511

IUPACN-benzyl-2-prop-2-enyl-5-(trifluoromethyl)benzamide
SMILESC=CCc1ccc(C(F)(F)F)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C18H16F3NO/c1-2-6-14-9-10-15(18(19,20)21)11-16(14)17(23)22-12-13-7-4-3-5-8-13/h2-5,7-11H,1,6,12H2,(H,22,23)
InChIKeyQCPGLEGXDCUXAQ-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.36
Rot. Bonds5

About N-benzyl-2-prop-2-enyl-5-(trifluoromethyl)benzamide

N-benzyl-2-prop-2-enyl-5-(trifluoromethyl)benzamide (PubChem CID 132601511) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is N-benzyl-2-prop-2-enyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-2-prop-2-enyl-5-(trifluoromethyl)benzamide
PubChem CID132601511
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-benzyl-2-prop-2-enyl-5-(trifluoromethyl)benzamide
SMILESC=CCc1ccc(C(F)(F)F)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C18H16F3NO/c1-2-6-14-9-10-15(18(19,20)21)11-16(14)17(23)22-12-13-7-4-3-5-8-13/h2-5,7-11H,1,6,12H2,(H,22,23)
InChIKeyQCPGLEGXDCUXAQ-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 178053092
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746
2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60699275
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
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CID 26241577
1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone
CID 112556286
N-benzyl-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25470234
N-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methyl]-2,5-bis(trifluoromethyl)benzamide
CID 148600799
N-[[4-(trifluoromethyl)phenyl]methyl]but-3-enamide
CID 59536949
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-prop-2-enyl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-benzyl-2-prop-2-enyl-5-(trifluoromethyl)benzamide (CID 132601511) is N-benzyl-2-prop-2-enyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-benzyl-2-prop-2-enyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-benzyl-2-prop-2-enyl-5-(trifluoromethyl)benzamide is C=CCc1ccc(C(F)(F)F)cc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-prop-2-enyl-5-(trifluoromethyl)benzamide?
The InChIKey is QCPGLEGXDCUXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO/c1-2-6-14-9-10-15(18(19,20)21)11-16(14)17(23)22-12-13-7-4-3-5-8-13/h2-5,7-11H,1,6,12H2,(H,22,23).
What are the key properties of N-benzyl-2-prop-2-enyl-5-(trifluoromethyl)benzamide?
N-benzyl-2-prop-2-enyl-5-(trifluoromethyl)benzamide has a molecular weight of 319.33 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-prop-2-enyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 132601511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).