N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide

C18H20FNO4 — CID 110787525

IUPACN-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2ccc(OC)c(F)c2)c1
InChIInChI=1S/C18H20FNO4/c1-22-14-9-13(10-15(11-14)23-2)18(21)20-7-6-12-4-5-17(24-3)16(19)8-12/h4-5,8-11H,6-7H2,1-3H3,(H,20,21)
InChIKeyWQNFIQLHWHCUBO-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.82
Rot. Bonds7

About N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide

N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide (PubChem CID 110787525) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
PubChem CID110787525
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC NameN-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2ccc(OC)c(F)c2)c1
InChIInChI=1S/C18H20FNO4/c1-22-14-9-13(10-15(11-14)23-2)18(21)20-7-6-12-4-5-17(24-3)16(19)8-12/h4-5,8-11H,6-7H2,1-3H3,(H,20,21)
InChIKeyWQNFIQLHWHCUBO-UHFFFAOYSA-N
XLogP2.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 110787364
N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 110788878
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186690
(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318455
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbutanamide
CID 120500446
1-tert-butyl-3-[2-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 110775669
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318444
N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide
CID 18115808
N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110787367
N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 42704068
(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate
CID 2629800
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 108538638

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide (CID 110787525) is N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCc2ccc(OC)c(F)c2)c1.
What is the InChIKey of N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is WQNFIQLHWHCUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-22-14-9-13(10-15(11-14)23-2)18(21)20-7-6-12-4-5-17(24-3)16(19)8-12/h4-5,8-11H,6-7H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide?
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 333.36 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 110787525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).