N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide

C17H13F4NO — CID 154867848

IUPACN-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NC(c1ccc(F)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F4NO/c1-2-15(23)22-16(11-6-8-14(18)9-7-11)12-4-3-5-13(10-12)17(19,20)21/h2-10,16H,1H2,(H,22,23)
InChIKeyHTFPMLKLVITLBO-UHFFFAOYSA-N
MW323.29 g/mol
LogP4.24
Rot. Bonds4

About N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide

N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide (PubChem CID 154867848) has the molecular formula C17H13F4NO and a molecular weight of 323.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide
PubChem CID154867848
Molecular FormulaC17H13F4NO
Molecular Weight323.29 g/mol
Exact Mass323.09
IUPAC NameN-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NC(c1ccc(F)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F4NO/c1-2-15(23)22-16(11-6-8-14(18)9-7-11)12-4-3-5-13(10-12)17(19,20)21/h2-10,16H,1H2,(H,22,23)
InChIKeyHTFPMLKLVITLBO-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 54.24
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

N-[(1S)-2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 124565620
N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 43699818
[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105192836
[1-(4-fluorophenyl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid
CID 118340396
4-fluoro-N-[2-[[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide;4-fluoro-N-[2-[[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide
CID 158545251
(E)-3-[3-[phenyl-(prop-2-enoylamino)methyl]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 135302446
4-[(prop-2-enoylamino)methyl]-N-[pyridin-3-yl-[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 154858591
N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490
4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide
CID 155944735
N-[(4-chlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]prop-2-enamide
CID 154874614
1-[[3-fluoro-4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]methyl]-3-pyridin-3-ylurea
CID 89310504
3-amino-1-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 138490004

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide (CID 154867848) is N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide is C=CC(=O)NC(c1ccc(F)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The InChIKey is HTFPMLKLVITLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4NO/c1-2-15(23)22-16(11-6-8-14(18)9-7-11)12-4-3-5-13(10-12)17(19,20)21/h2-10,16H,1H2,(H,22,23).
What are the key properties of N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide has a molecular weight of 323.29 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 154867848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).