N-prop-2-enyl-4-(trifluoromethoxy)benzamide

C11H10F3NO2 — CID 22616308

IUPACN-prop-2-enyl-4-(trifluoromethoxy)benzamide
SMILESC=CCNC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO2/c1-2-7-15-10(16)8-3-5-9(6-4-8)17-11(12,13)14/h2-6H,1,7H2,(H,15,16)
InChIKeyLZINYHOJHPIDSL-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.50
Rot. Bonds4

About N-prop-2-enyl-4-(trifluoromethoxy)benzamide

N-prop-2-enyl-4-(trifluoromethoxy)benzamide (PubChem CID 22616308) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is N-prop-2-enyl-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-prop-2-enyl-4-(trifluoromethoxy)benzamide
PubChem CID22616308
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC NameN-prop-2-enyl-4-(trifluoromethoxy)benzamide
SMILESC=CCNC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO2/c1-2-7-15-10(16)8-3-5-9(6-4-8)17-11(12,13)14/h2-6H,1,7H2,(H,15,16)
InChIKeyLZINYHOJHPIDSL-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-prop-2-enyl-4-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 62726927
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide
CID 71796851
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
4-(125I)iodo-N-prop-2-enyl(125I)benzamide
CID 118652264
N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide
CID 116629079
N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide
CID 107322364
N-[7-[(4-bromobenzoyl)amino]heptyl]-4-(trifluoromethoxy)benzamide
CID 54468916
4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 35184223
N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide
CID 66550469
N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide
CID 39753699
4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide
CID 61267193

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-prop-2-enyl-4-(trifluoromethoxy)benzamide (CID 22616308) is N-prop-2-enyl-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-prop-2-enyl-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-prop-2-enyl-4-(trifluoromethoxy)benzamide is C=CCNC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-prop-2-enyl-4-(trifluoromethoxy)benzamide?
The InChIKey is LZINYHOJHPIDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-2-7-15-10(16)8-3-5-9(6-4-8)17-11(12,13)14/h2-6H,1,7H2,(H,15,16).
What are the key properties of N-prop-2-enyl-4-(trifluoromethoxy)benzamide?
N-prop-2-enyl-4-(trifluoromethoxy)benzamide has a molecular weight of 245.20 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 22616308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).