2-bromo-4-chloro-N-(3-fluoro-2-methoxyphenyl)benzamide

C14H10BrClFNO2 — CID 141220009

IUPAC2-bromo-4-chloro-N-(3-fluoro-2-methoxyphenyl)benzamide
SMILESCOc1c(F)cccc1NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H10BrClFNO2/c1-20-13-11(17)3-2-4-12(13)18-14(19)9-6-5-8(16)7-10(9)15/h2-7H,1H3,(H,18,19)
InChIKeyUORXZRIVKMQLHB-UHFFFAOYSA-N
MW358.59 g/mol
LogP4.50
Rot. Bonds3

About 2-bromo-4-chloro-N-(3-fluoro-2-methoxyphenyl)benzamide

2-bromo-4-chloro-N-(3-fluoro-2-methoxyphenyl)benzamide (PubChem CID 141220009) has the molecular formula C14H10BrClFNO2 and a molecular weight of 358.59 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(3-fluoro-2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(3-fluoro-2-methoxyphenyl)benzamide
PubChem CID141220009
Molecular FormulaC14H10BrClFNO2
Molecular Weight358.59 g/mol
Exact Mass356.96
IUPAC Name2-bromo-4-chloro-N-(3-fluoro-2-methoxyphenyl)benzamide
SMILESCOc1c(F)cccc1NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H10BrClFNO2/c1-20-13-11(17)3-2-4-12(13)18-14(19)9-6-5-8(16)7-10(9)15/h2-7H,1H3,(H,18,19)
InChIKeyUORXZRIVKMQLHB-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 2-bromo-4-chloro-N-(3-fluoro-2-methoxyphenyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(3-fluoro-2-methoxyphenyl)benzamide (CID 141220009) is 2-bromo-4-chloro-N-(3-fluoro-2-methoxyphenyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(3-fluoro-2-methoxyphenyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(3-fluoro-2-methoxyphenyl)benzamide is COc1c(F)cccc1NC(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(3-fluoro-2-methoxyphenyl)benzamide?
The InChIKey is UORXZRIVKMQLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO2/c1-20-13-11(17)3-2-4-12(13)18-14(19)9-6-5-8(16)7-10(9)15/h2-7H,1H3,(H,18,19).
What are the key properties of 2-bromo-4-chloro-N-(3-fluoro-2-methoxyphenyl)benzamide?
2-bromo-4-chloro-N-(3-fluoro-2-methoxyphenyl)benzamide 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 2-bromo-4-chloro-N-(3-fluoro-2-methoxyphenyl)benzamide is sourced from PubChem (CID 141220009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).