N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide

C16H15ClFNO3 — CID 54785477

IUPACN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide
SMILESCOc1cc(Cl)c(CNC(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C16H15ClFNO3/c1-21-14-7-10(12(17)8-15(14)22-2)9-19-16(20)11-5-3-4-6-13(11)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyPITCSMNSSHJKTC-UHFFFAOYSA-N
MW323.75 g/mol
LogP3.43
Rot. Bonds5

About N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide

N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide (PubChem CID 54785477) has the molecular formula C16H15ClFNO3 and a molecular weight of 323.75 g/mol. Its IUPAC name is N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide
PubChem CID54785477
Molecular FormulaC16H15ClFNO3
Molecular Weight323.75 g/mol
Exact Mass323.07
IUPAC NameN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide
SMILESCOc1cc(Cl)c(CNC(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C16H15ClFNO3/c1-21-14-7-10(12(17)8-15(14)22-2)9-19-16(20)11-5-3-4-6-13(11)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyPITCSMNSSHJKTC-UHFFFAOYSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-4,5-dimethoxyphenyl)methylcarbamothioyl]-2-fluorobenzamide
CID 54785745
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-nitrobenzamide
CID 54785579
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide
CID 110789797
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966
2-hydroxy-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 18116275
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
CID 17068329
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 90613273
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide?
The IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide (CID 54785477) is N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide?
The canonical SMILES for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide is COc1cc(Cl)c(CNC(=O)c2ccccc2F)cc1OC.
What is the InChIKey of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide?
The InChIKey is PITCSMNSSHJKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO3/c1-21-14-7-10(12(17)8-15(14)22-2)9-19-16(20)11-5-3-4-6-13(11)18/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide?
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide has a molecular weight of 323.75 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 54785477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).