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

C15H13ClFNO3 — CID 91722818

IUPAC3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc(Cl)c2F)c1
InChIInChI=1S/C15H13ClFNO3/c1-20-9-6-7-13(21-2)12(8-9)18-15(19)10-4-3-5-11(16)14(10)17/h3-8H,1-2H3,(H,18,19)
InChIKeyPJAHDKSWHYITCN-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.75
Rot. Bonds4

About 3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide

3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide (PubChem CID 91722818) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is 3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide
PubChem CID91722818
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC Name3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc(Cl)c2F)c1
InChIInChI=1S/C15H13ClFNO3/c1-20-9-6-7-13(21-2)12(8-9)18-15(19)10-4-3-5-11(16)14(10)17/h3-8H,1-2H3,(H,18,19)
InChIKeyPJAHDKSWHYITCN-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-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide
CID 80974125
(3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 64714149
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide
CID 966884
N-(5-acetamido-2-methoxyphenyl)-2,3-dichlorobenzamide
CID 17429613
4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 55883648
2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892982
5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide
CID 1369979
5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 17101910
2-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)acetamide
CID 839117
2-chloro-N-(2,5-dimethoxyphenyl)-5-pyrrol-1-ylbenzamide
CID 39336179
N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide
CID 789234

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide?
The IUPAC name of 3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide (CID 91722818) is 3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide?
The canonical SMILES for 3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide is COc1ccc(OC)c(NC(=O)c2cccc(Cl)c2F)c1.
What is the InChIKey of 3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide?
The InChIKey is PJAHDKSWHYITCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c1-20-9-6-7-13(21-2)12(8-9)18-15(19)10-4-3-5-11(16)14(10)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide?
3-chloro-N-(2,5-dimethoxyphenyl)-2-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 3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide is sourced from PubChem (CID 91722818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).