5-chloro-2-fluoro-N-[(2,4,6-trimethoxyphenyl)methyl]benzamide

C17H17ClFNO4 — CID 87006791

IUPAC5-chloro-2-fluoro-N-[(2,4,6-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(OC)c(CNC(=O)c2cc(Cl)ccc2F)c(OC)c1
InChIInChI=1S/C17H17ClFNO4/c1-22-11-7-15(23-2)13(16(8-11)24-3)9-20-17(21)12-6-10(18)4-5-14(12)19/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyIYMWVLFQPYLFDZ-UHFFFAOYSA-N
MW353.78 g/mol
LogP3.43
Rot. Bonds6

About 5-chloro-2-fluoro-N-[(2,4,6-trimethoxyphenyl)methyl]benzamide

5-chloro-2-fluoro-N-[(2,4,6-trimethoxyphenyl)methyl]benzamide (PubChem CID 87006791) has the molecular formula C17H17ClFNO4 and a molecular weight of 353.78 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[(2,4,6-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[(2,4,6-trimethoxyphenyl)methyl]benzamide
PubChem CID87006791
Molecular FormulaC17H17ClFNO4
Molecular Weight353.78 g/mol
Exact Mass353.08
IUPAC Name5-chloro-2-fluoro-N-[(2,4,6-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(OC)c(CNC(=O)c2cc(Cl)ccc2F)c(OC)c1
InChIInChI=1S/C17H17ClFNO4/c1-22-11-7-15(23-2)13(16(8-11)24-3)9-20-17(21)12-6-10(18)4-5-14(12)19/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyIYMWVLFQPYLFDZ-UHFFFAOYSA-N
XLogP3.43
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.78
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26586018
N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide
CID 107037030
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 9083338
5-chloro-N-[(2,6-dimethoxyphenyl)methyl]-2-nitrobenzamide
CID 68546575
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
3-(3-chlorophenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide
CID 76884702
2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 110784312
5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide
CID 100529367
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230315

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[(2,4,6-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[(2,4,6-trimethoxyphenyl)methyl]benzamide (CID 87006791) is 5-chloro-2-fluoro-N-[(2,4,6-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[(2,4,6-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[(2,4,6-trimethoxyphenyl)methyl]benzamide is COc1cc(OC)c(CNC(=O)c2cc(Cl)ccc2F)c(OC)c1.
What is the InChIKey of 5-chloro-2-fluoro-N-[(2,4,6-trimethoxyphenyl)methyl]benzamide?
The InChIKey is IYMWVLFQPYLFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO4/c1-22-11-7-15(23-2)13(16(8-11)24-3)9-20-17(21)12-6-10(18)4-5-14(12)19/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of 5-chloro-2-fluoro-N-[(2,4,6-trimethoxyphenyl)methyl]benzamide?
5-chloro-2-fluoro-N-[(2,4,6-trimethoxyphenyl)methyl]benzamide has a molecular weight of 353.78 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[(2,4,6-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 87006791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).