N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide

C16H15ClFNO3 — CID 110784344

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H15ClFNO3/c1-21-13-4-3-5-14(22-2)15(13)16(20)19-9-10-6-7-12(18)11(17)8-10/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeySYCJCCODAUFSGY-UHFFFAOYSA-N
MW323.75 g/mol
LogP3.43
Rot. Bonds5

About N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide

N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide (PubChem CID 110784344) has the molecular formula C16H15ClFNO3 and a molecular weight of 323.75 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
PubChem CID110784344
Molecular FormulaC16H15ClFNO3
Molecular Weight323.75 g/mol
Exact Mass323.07
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H15ClFNO3/c1-21-13-4-3-5-14(22-2)15(13)16(20)19-9-10-6-7-12(18)11(17)8-10/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeySYCJCCODAUFSGY-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-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116
N-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784391
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide
CID 131891690
2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 86296544
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide
CID 86297319
2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide
CID 110779766
N-[(3-amino-4-methoxyphenyl)methyl]-3-chloro-4-fluorobenzamide
CID 82873015
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
2,6-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 743463
5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384674
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
2-chloro-6-(3-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;2-chloro-6-(4-chlorophenoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide;ethane
CID 144727883

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide (CID 110784344) is N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide?
The InChIKey is SYCJCCODAUFSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO3/c1-21-13-4-3-5-14(22-2)15(13)16(20)19-9-10-6-7-12(18)11(17)8-10/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide?
N-[(3-chloro-4-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-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 110784344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).