N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide

C15H13ClFNO3 — CID 836286

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C15H13ClFNO3/c1-20-13-8-14(21-2)12(7-11(13)16)18-15(19)9-3-5-10(17)6-4-9/h3-8H,1-2H3,(H,18,19)
InChIKeyWHDZFTOBWVWLPM-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.75
Rot. Bonds4

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

N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide (PubChem CID 836286) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
PubChem CID836286
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C15H13ClFNO3/c1-20-13-8-14(21-2)12(7-11(13)16)18-15(19)9-3-5-10(17)6-4-9/h3-8H,1-2H3,(H,18,19)
InChIKeyWHDZFTOBWVWLPM-UHFFFAOYSA-N
XLogP3.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-difluorobenzamide
CID 7924034
N-(5-chloro-2,4-dimethoxyphenyl)-2,5-difluorobenzamide
CID 17422602
N-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2553216
N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide
CID 4060765
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 35864833
N-(4-chloro-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 28825951
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide
CID 2085572
N-(5-chloro-2,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 26877253
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide
CID 925288

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide (CID 836286) is N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide is COc1cc(OC)c(NC(=O)c2ccc(F)cc2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide?
The InChIKey is WHDZFTOBWVWLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c1-20-13-8-14(21-2)12(7-11(13)16)18-15(19)9-3-5-10(17)6-4-9/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide?
N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide has a molecular weight of 309.72 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide is sourced from PubChem (CID 836286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).