(E)-3-(2-fluoro-6-hydroxyphenyl)-N-propan-2-ylprop-2-enamide

C12H14FNO2 — CID 162375362

IUPAC(E)-3-(2-fluoro-6-hydroxyphenyl)-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C=C/c1c(O)cccc1F
InChIInChI=1S/C12H14FNO2/c1-8(2)14-12(16)7-6-9-10(13)4-3-5-11(9)15/h3-8,15H,1-2H3,(H,14,16)/b7-6+
InChIKeyRCNJJGPRSVDASS-VOTSOKGWSA-N
MW223.25 g/mol
LogP2.07
Rot. Bonds3

About (E)-3-(2-fluoro-6-hydroxyphenyl)-N-propan-2-ylprop-2-enamide

(E)-3-(2-fluoro-6-hydroxyphenyl)-N-propan-2-ylprop-2-enamide (PubChem CID 162375362) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (E)-3-(2-fluoro-6-hydroxyphenyl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluoro-6-hydroxyphenyl)-N-propan-2-ylprop-2-enamide
PubChem CID162375362
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(E)-3-(2-fluoro-6-hydroxyphenyl)-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C=C/c1c(O)cccc1F
InChIInChI=1S/C12H14FNO2/c1-8(2)14-12(16)7-6-9-10(13)4-3-5-11(9)15/h3-8,15H,1-2H3,(H,14,16)/b7-6+
InChIKeyRCNJJGPRSVDASS-VOTSOKGWSA-N
XLogP2.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(E)-4-(2-fluoro-6-hydroxyphenyl)but-3-en-2-one
CID 142406903
3-(2-chloro-6-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]prop-2-enamide
CID 79023614
2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 43354105
3-(2,6-difluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide
CID 55797709
3-(2-chloro-6-fluorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 2932986
(E)-4-(2,6-difluorophenyl)but-3-en-2-one
CID 18371119
(E)-3-(2-chloro-6-fluorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418406
(E)-3-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide
CID 83059477
(E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide
CID 18170609
(E)-N-[(1S)-1-[3-(6-chloro-3-pyridinyl)phenyl]ethyl]-3-(2,6-difluorophenyl)prop-2-enamide
CID 59095711
(E)-3-(2-chloro-6-fluorophenyl)-N-(3-methylbutyl)prop-2-enamide
CID 6166283
(E)-3-(2-chloro-6-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
CID 103856027

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluoro-6-hydroxyphenyl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of (E)-3-(2-fluoro-6-hydroxyphenyl)-N-propan-2-ylprop-2-enamide (CID 162375362) is (E)-3-(2-fluoro-6-hydroxyphenyl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-fluoro-6-hydroxyphenyl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (E)-3-(2-fluoro-6-hydroxyphenyl)-N-propan-2-ylprop-2-enamide is CC(C)NC(=O)/C=C/c1c(O)cccc1F.
What is the InChIKey of (E)-3-(2-fluoro-6-hydroxyphenyl)-N-propan-2-ylprop-2-enamide?
The InChIKey is RCNJJGPRSVDASS-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-8(2)14-12(16)7-6-9-10(13)4-3-5-11(9)15/h3-8,15H,1-2H3,(H,14,16)/b7-6+.
What are the key properties of (E)-3-(2-fluoro-6-hydroxyphenyl)-N-propan-2-ylprop-2-enamide?
(E)-3-(2-fluoro-6-hydroxyphenyl)-N-propan-2-ylprop-2-enamide has a molecular weight of 223.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluoro-6-hydroxyphenyl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 162375362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).