N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide

C17H18FNO4 — CID 90613273

IUPACN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide
SMILESCOc1ccc(C(O)CNC(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C17H18FNO4/c1-22-15-8-7-11(9-16(15)23-2)14(20)10-19-17(21)12-5-3-4-6-13(12)18/h3-9,14,20H,10H2,1-2H3,(H,19,21)
InChIKeyNXPMLXHQGUTZOY-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.31
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide (PubChem CID 90613273) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide
PubChem CID90613273
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide
SMILESCOc1ccc(C(O)CNC(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C17H18FNO4/c1-22-15-8-7-11(9-16(15)23-2)14(20)10-19-17(21)12-5-3-4-6-13(12)18/h3-9,14,20H,10H2,1-2H3,(H,19,21)
InChIKeyNXPMLXHQGUTZOY-UHFFFAOYSA-N
XLogP2.31
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-ethylsulfanylbenzamide
CID 99903128
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide
CID 99903135
5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methoxybenzamide
CID 110888727
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,5-dimethylbenzamide
CID 72717717
N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-2-fluorobenzamide
CID 171987201
4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613299
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 86263927
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
CID 597490
(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-fluorobenzoyl)amino]propanoate
CID 6926618
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
CID 90613307
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide
CID 72717719
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide
CID 54785477

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide (CID 90613273) is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide is COc1ccc(C(O)CNC(=O)c2ccccc2F)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide?
The InChIKey is NXPMLXHQGUTZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-22-15-8-7-11(9-16(15)23-2)14(20)10-19-17(21)12-5-3-4-6-13(12)18/h3-9,14,20H,10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide?
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide has a molecular weight of 319.33 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide is sourced from PubChem (CID 90613273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).