N-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide

C16H15ClFNO3 — CID 110784391

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1cc(Cl)ccc1F
InChIInChI=1S/C16H15ClFNO3/c1-21-13-4-3-5-14(22-2)15(13)16(20)19-9-10-8-11(17)6-7-12(10)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyNFDMACBSDRGOIX-UHFFFAOYSA-N
MW323.75 g/mol
LogP3.43
Rot. Bonds5

About N-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide

N-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide (PubChem CID 110784391) has the molecular formula C16H15ClFNO3 and a molecular weight of 323.75 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide
PubChem CID110784391
Molecular FormulaC16H15ClFNO3
Molecular Weight323.75 g/mol
Exact Mass323.07
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1cc(Cl)ccc1F
InChIInChI=1S/C16H15ClFNO3/c1-21-13-4-3-5-14(22-2)15(13)16(20)19-9-10-8-11(17)6-7-12(10)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyNFDMACBSDRGOIX-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-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784344
N-[(2,5-difluorophenyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 63373922
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide
CID 112992471
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
2-(3-chlorophenyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 110780207
N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 46590232
N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110780940
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide
CID 131891690
3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide
CID 63372843
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide
CID 113102587

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide (CID 110784391) is N-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCc1cc(Cl)ccc1F.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide?
The InChIKey is NFDMACBSDRGOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO3/c1-21-13-4-3-5-14(22-2)15(13)16(20)19-9-10-8-11(17)6-7-12(10)18/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide?
N-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide 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-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 110784391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).