N-[[1-[4-(trifluoromethyl)phenyl]indol-2-yl]methyl]prop-2-enamide

C19H15F3N2O — CID 168830334

IUPACN-[[1-[4-(trifluoromethyl)phenyl]indol-2-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cc2ccccc2n1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H15F3N2O/c1-2-18(25)23-12-16-11-13-5-3-4-6-17(13)24(16)15-9-7-14(8-10-15)19(20,21)22/h2-11H,1,12H2,(H,23,25)
InChIKeyNKIOZWMZFVFDTP-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.45
Rot. Bonds4

About N-[[1-[4-(trifluoromethyl)phenyl]indol-2-yl]methyl]prop-2-enamide

N-[[1-[4-(trifluoromethyl)phenyl]indol-2-yl]methyl]prop-2-enamide (PubChem CID 168830334) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is N-[[1-[4-(trifluoromethyl)phenyl]indol-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[1-[4-(trifluoromethyl)phenyl]indol-2-yl]methyl]prop-2-enamide
PubChem CID168830334
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC NameN-[[1-[4-(trifluoromethyl)phenyl]indol-2-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cc2ccccc2n1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H15F3N2O/c1-2-18(25)23-12-16-11-13-5-3-4-6-17(13)24(16)15-9-7-14(8-10-15)19(20,21)22/h2-11H,1,12H2,(H,23,25)
InChIKeyNKIOZWMZFVFDTP-UHFFFAOYSA-N
XLogP4.45
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methyl]prop-2-enamide
CID 129305263
N-[1-[4-(trifluoromethyl)phenyl]indazol-6-yl]prop-2-enamide
CID 169173148
N-[[4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]prop-2-enamide
CID 172543060
N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide
CID 170679886
N-[[1-methylsulfonyl-4-[4-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-2-yl]methyl]prop-2-enamide
CID 172543276
N-[[1-[4-(trifluoromethyl)phenoxy]isoquinolin-4-yl]methyl]prop-2-enamide
CID 129305218
N-[1-[4-(trifluoromethyl)phenyl]indol-5-yl]but-3-enamide
CID 156881407
(E)-N-[[9-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide
CID 130247832
N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 166404475
[6-methoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol
CID 71568171
1-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole
CID 53329005
N-[[(6R)-2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]prop-2-enamide
CID 175945486

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(trifluoromethyl)phenyl]indol-2-yl]methyl]prop-2-enamide?
The IUPAC name of N-[[1-[4-(trifluoromethyl)phenyl]indol-2-yl]methyl]prop-2-enamide (CID 168830334) is N-[[1-[4-(trifluoromethyl)phenyl]indol-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[1-[4-(trifluoromethyl)phenyl]indol-2-yl]methyl]prop-2-enamide?
The canonical SMILES for N-[[1-[4-(trifluoromethyl)phenyl]indol-2-yl]methyl]prop-2-enamide is C=CC(=O)NCc1cc2ccccc2n1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[1-[4-(trifluoromethyl)phenyl]indol-2-yl]methyl]prop-2-enamide?
The InChIKey is NKIOZWMZFVFDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O/c1-2-18(25)23-12-16-11-13-5-3-4-6-17(13)24(16)15-9-7-14(8-10-15)19(20,21)22/h2-11H,1,12H2,(H,23,25).
What are the key properties of N-[[1-[4-(trifluoromethyl)phenyl]indol-2-yl]methyl]prop-2-enamide?
N-[[1-[4-(trifluoromethyl)phenyl]indol-2-yl]methyl]prop-2-enamide has a molecular weight of 344.34 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(trifluoromethyl)phenyl]indol-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 168830334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).