(E)-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-(furan-2-yl)prop-2-enamide

C17H18FNO3 — CID 97428316

IUPAC(E)-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-(furan-2-yl)prop-2-enamide
SMILESCO[C@@](C)(CNC(=O)/C=C/c1ccco1)c1ccccc1F
InChIInChI=1S/C17H18FNO3/c1-17(21-2,14-7-3-4-8-15(14)18)12-19-16(20)10-9-13-6-5-11-22-13/h3-11H,12H2,1-2H3,(H,19,20)/b10-9+/t17-/m0/s1
InChIKeyPGLCJJFSRWUUIL-FVNWOWOISA-N
MW303.33 g/mol
LogP3.11
Rot. Bonds6

About (E)-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 97428316) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is (E)-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID97428316
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name(E)-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-(furan-2-yl)prop-2-enamide
SMILESCO[C@@](C)(CNC(=O)/C=C/c1ccco1)c1ccccc1F
InChIInChI=1S/C17H18FNO3/c1-17(21-2,14-7-3-4-8-15(14)18)12-19-16(20)10-9-13-6-5-11-22-13/h3-11H,12H2,1-2H3,(H,19,20)/b10-9+/t17-/m0/s1
InChIKeyPGLCJJFSRWUUIL-FVNWOWOISA-N
XLogP3.11
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90599191
ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate
CID 71810594
(E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide
CID 75408048
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 104857087
N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
CID 77056421
4-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 90599067
2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide
CID 56789002
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide
CID 90599312
2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 97428331
(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(furan-2-yl)prop-2-enamide
CID 113322216
2-ethoxy-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 97428304

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-(furan-2-yl)prop-2-enamide (CID 97428316) is (E)-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-(furan-2-yl)prop-2-enamide is CO[C@@](C)(CNC(=O)/C=C/c1ccco1)c1ccccc1F.
What is the InChIKey of (E)-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is PGLCJJFSRWUUIL-FVNWOWOISA-N. The full InChI is InChI=1S/C17H18FNO3/c1-17(21-2,14-7-3-4-8-15(14)18)12-19-16(20)10-9-13-6-5-11-22-13/h3-11H,12H2,1-2H3,(H,19,20)/b10-9+/t17-/m0/s1.
What are the key properties of (E)-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 303.33 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 97428316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).