3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide

C21H18FNO — CID 91321307

IUPAC3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
SMILESC[C@H](NC(=O)C=Cc1cccc(F)c1)c1ccc2ccccc2c1
InChIInChI=1S/C21H18FNO/c1-15(18-11-10-17-6-2-3-7-19(17)14-18)23-21(24)12-9-16-5-4-8-20(22)13-16/h2-15H,1H3,(H,23,24)/t15-/m0/s1
InChIKeyOTBDLIPZCFXWGE-HNNXBMFYSA-N
MW319.38 g/mol
LogP4.87
Rot. Bonds4

About 3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide

3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide (PubChem CID 91321307) has the molecular formula C21H18FNO and a molecular weight of 319.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
PubChem CID91321307
Molecular FormulaC21H18FNO
Molecular Weight319.38 g/mol
Exact Mass319.14
IUPAC Name3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
SMILESC[C@H](NC(=O)C=Cc1cccc(F)c1)c1ccc2ccccc2c1
InChIInChI=1S/C21H18FNO/c1-15(18-11-10-17-6-2-3-7-19(17)14-18)23-21(24)12-9-16-5-4-8-20(22)13-16/h2-15H,1H3,(H,23,24)/t15-/m0/s1
InChIKeyOTBDLIPZCFXWGE-HNNXBMFYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.87
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

(E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 9330259
(E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 7899703
(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
CID 9410111
(E)-3-(3-fluorophenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide
CID 22473294
(E)-3-(2-methylphenyl)-N-(1-naphthalen-2-ylethyl)prop-2-enamide
CID 20744344
(E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide
CID 8782179
(E)-3-(3-fluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 20744300
N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 101382734
N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]-3-(3-methylphenyl)prop-2-enamide
CID 91155586
(2S,3R)-2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-hydroxybutanoic acid
CID 93302646
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 3531094

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide (CID 91321307) is 3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide is C[C@H](NC(=O)C=Cc1cccc(F)c1)c1ccc2ccccc2c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide?
The InChIKey is OTBDLIPZCFXWGE-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H18FNO/c1-15(18-11-10-17-6-2-3-7-19(17)14-18)23-21(24)12-9-16-5-4-8-20(22)13-16/h2-15H,1H3,(H,23,24)/t15-/m0/s1.
What are the key properties of 3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide?
3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide has a molecular weight of 319.38 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide is sourced from PubChem (CID 91321307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).