2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide

C17H17ClFNO3 — CID 90597986

IUPAC2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1C(CNC(=O)c1c(F)cccc1Cl)OC
InChIInChI=1S/C17H17ClFNO3/c1-22-14-9-4-3-6-11(14)15(23-2)10-20-17(21)16-12(18)7-5-8-13(16)19/h3-9,15H,10H2,1-2H3,(H,20,21)
InChIKeySVWKBTQDXBSBTN-UHFFFAOYSA-N
MW337.78 g/mol
LogP3.61
Rot. Bonds6

About 2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide

2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 90597986) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide
PubChem CID90597986
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC Name2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1C(CNC(=O)c1c(F)cccc1Cl)OC
InChIInChI=1S/C17H17ClFNO3/c1-22-14-9-4-3-6-11(14)15(23-2)10-20-17(21)16-12(18)7-5-8-13(16)19/h3-9,15H,10H2,1-2H3,(H,20,21)
InChIKeySVWKBTQDXBSBTN-UHFFFAOYSA-N
XLogP3.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-chloro-6-fluorobenzamide
CID 124761461
5-bromo-2-chloro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide
CID 90598056
3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107187
N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide
CID 65434019
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
CID 90597977
2-(2-fluorophenoxy)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide
CID 90597980
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-6-fluorobenzamide
CID 45001704
N-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 114295738
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 90623724
2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598704

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide (CID 90597986) is 2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide is COc1ccccc1C(CNC(=O)c1c(F)cccc1Cl)OC.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is SVWKBTQDXBSBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3/c1-22-14-9-4-3-6-11(14)15(23-2)10-20-17(21)16-12(18)7-5-8-13(16)19/h3-9,15H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide has a molecular weight of 337.78 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 90597986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).