5-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide

C14H10BrClFNO2 — CID 7275223

IUPAC5-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C14H10BrClFNO2/c1-20-13-5-3-9(16)7-12(13)18-14(19)10-6-8(15)2-4-11(10)17/h2-7H,1H3,(H,18,19)
InChIKeyBZSGTAMJTOUMQX-UHFFFAOYSA-N
MW358.59 g/mol
LogP4.50
Rot. Bonds3

About 5-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide

5-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide (PubChem CID 7275223) has the molecular formula C14H10BrClFNO2 and a molecular weight of 358.59 g/mol. Its IUPAC name is 5-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
PubChem CID7275223
Molecular FormulaC14H10BrClFNO2
Molecular Weight358.59 g/mol
Exact Mass356.96
IUPAC Name5-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C14H10BrClFNO2/c1-20-13-5-3-9(16)7-12(13)18-14(19)10-6-8(15)2-4-11(10)17/h2-7H,1H3,(H,18,19)
InChIKeyBZSGTAMJTOUMQX-UHFFFAOYSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.59
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide (CID 7275223) is 5-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide is COc1ccc(Cl)cc1NC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide?
The InChIKey is BZSGTAMJTOUMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO2/c1-20-13-5-3-9(16)7-12(13)18-14(19)10-6-8(15)2-4-11(10)17/h2-7H,1H3,(H,18,19).
What are the key properties of 5-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide?
5-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide has a molecular weight of 358.59 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide is sourced from PubChem (CID 7275223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).