2-fluoro-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylbenzamide

C18H18FNO3 — CID 46992128

IUPAC2-fluoro-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1cccc(OC)c1)C(=O)c1c(O)cccc1F
InChIInChI=1S/C18H18FNO3/c1-3-10-20(12-13-6-4-7-14(11-13)23-2)18(22)17-15(19)8-5-9-16(17)21/h3-9,11,21H,1,10,12H2,2H3
InChIKeyIKZDDDKRUONSFI-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.37
Rot. Bonds6

About 2-fluoro-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylbenzamide

2-fluoro-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylbenzamide (PubChem CID 46992128) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylbenzamide
PubChem CID46992128
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name2-fluoro-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1cccc(OC)c1)C(=O)c1c(O)cccc1F
InChIInChI=1S/C18H18FNO3/c1-3-10-20(12-13-6-4-7-14(11-13)23-2)18(22)17-15(19)8-5-9-16(17)21/h3-9,11,21H,1,10,12H2,2H3
InChIKeyIKZDDDKRUONSFI-UHFFFAOYSA-N
XLogP3.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 126836586
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 50981672
N-[(3-methoxyphenyl)methyl]-1-methyl-N-prop-2-enylazepane-2-carboxamide
CID 46996249
4-bromo-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 3566076
2-[acetyl(prop-2-enyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113158522
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-methoxy-N-prop-2-enylbenzamide
CID 3641435
2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide
CID 114559340
2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 107722488
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylfuran-2-carboxamide
CID 42819878
2-chloro-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 4556688
phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate
CID 3814252

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylbenzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylbenzamide (CID 46992128) is 2-fluoro-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylbenzamide is C=CCN(Cc1cccc(OC)c1)C(=O)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylbenzamide?
The InChIKey is IKZDDDKRUONSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-3-10-20(12-13-6-4-7-14(11-13)23-2)18(22)17-15(19)8-5-9-16(17)21/h3-9,11,21H,1,10,12H2,2H3.
What are the key properties of 2-fluoro-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylbenzamide?
2-fluoro-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylbenzamide has a molecular weight of 315.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 46992128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).