3,6-dichloro-N-(2-fluorophenyl)-2-methoxybenzamide

C14H10Cl2FNO2 — CID 707522

IUPAC3,6-dichloro-N-(2-fluorophenyl)-2-methoxybenzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)Nc1ccccc1F
InChIInChI=1S/C14H10Cl2FNO2/c1-20-13-9(16)7-6-8(15)12(13)14(19)18-11-5-3-2-4-10(11)17/h2-7H,1H3,(H,18,19)
InChIKeyCKULBKBTFGAIIB-UHFFFAOYSA-N
MW314.14 g/mol
LogP4.39
Rot. Bonds3

About 3,6-dichloro-N-(2-fluorophenyl)-2-methoxybenzamide

3,6-dichloro-N-(2-fluorophenyl)-2-methoxybenzamide (PubChem CID 707522) has the molecular formula C14H10Cl2FNO2 and a molecular weight of 314.14 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-fluorophenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2-fluorophenyl)-2-methoxybenzamide
PubChem CID707522
Molecular FormulaC14H10Cl2FNO2
Molecular Weight314.14 g/mol
Exact Mass313.01
IUPAC Name3,6-dichloro-N-(2-fluorophenyl)-2-methoxybenzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)Nc1ccccc1F
InChIInChI=1S/C14H10Cl2FNO2/c1-20-13-9(16)7-6-8(15)12(13)14(19)18-11-5-3-2-4-10(11)17/h2-7H,1H3,(H,18,19)
InChIKeyCKULBKBTFGAIIB-UHFFFAOYSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.14
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-fluorophenyl)-2-methoxybenzamide?
The IUPAC name of 3,6-dichloro-N-(2-fluorophenyl)-2-methoxybenzamide (CID 707522) is 3,6-dichloro-N-(2-fluorophenyl)-2-methoxybenzamide.
What is the SMILES notation for 3,6-dichloro-N-(2-fluorophenyl)-2-methoxybenzamide?
The canonical SMILES for 3,6-dichloro-N-(2-fluorophenyl)-2-methoxybenzamide is COc1c(Cl)ccc(Cl)c1C(=O)Nc1ccccc1F.
What is the InChIKey of 3,6-dichloro-N-(2-fluorophenyl)-2-methoxybenzamide?
The InChIKey is CKULBKBTFGAIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO2/c1-20-13-9(16)7-6-8(15)12(13)14(19)18-11-5-3-2-4-10(11)17/h2-7H,1H3,(H,18,19).
What are the key properties of 3,6-dichloro-N-(2-fluorophenyl)-2-methoxybenzamide?
3,6-dichloro-N-(2-fluorophenyl)-2-methoxybenzamide has a molecular weight of 314.14 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-fluorophenyl)-2-methoxybenzamide is sourced from PubChem (CID 707522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).