3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide

C14H18FNO3 — CID 77055695

IUPAC3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NCC(C)CO)cc1F
InChIInChI=1S/C14H18FNO3/c1-10(9-17)8-16-14(18)6-4-11-3-5-13(19-2)12(15)7-11/h3-7,10,17H,8-9H2,1-2H3,(H,16,18)
InChIKeyRPPGXSSEEPYYKW-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.59
Rot. Bonds6

About 3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide

3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide (PubChem CID 77055695) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
PubChem CID77055695
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NCC(C)CO)cc1F
InChIInChI=1S/C14H18FNO3/c1-10(9-17)8-16-14(18)6-4-11-3-5-13(19-2)12(15)7-11/h3-7,10,17H,8-9H2,1-2H3,(H,16,18)
InChIKeyRPPGXSSEEPYYKW-UHFFFAOYSA-N
XLogP1.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]-2-hydroxypropanoate
CID 103957945
(E)-3-(4-fluoro-3-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
CID 109380204
(E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide
CID 60666436
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]prop-2-enamide
CID 93041518
N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77055664
(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
CID 2329661
3-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-2,2-dimethylpropanamide
CID 103597963
(E)-3-(4-fluoro-3-methoxyphenyl)-N-(2-hydroxy-3-methylbutyl)prop-2-enamide
CID 75388391
(E)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 46612492
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9210510
4-fluoro-N-[2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]ethyl]benzamide
CID 103598424
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 62523655

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide (CID 77055695) is 3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide is COc1ccc(C=CC(=O)NCC(C)CO)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide?
The InChIKey is RPPGXSSEEPYYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-10(9-17)8-16-14(18)6-4-11-3-5-13(19-2)12(15)7-11/h3-7,10,17H,8-9H2,1-2H3,(H,16,18).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide?
3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide has a molecular weight of 267.30 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 77055695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).