3-bromo-N-(3-chloro-2-methoxyphenyl)-5-fluorobenzamide

C14H10BrClFNO2 — CID 47382946

IUPAC3-bromo-N-(3-chloro-2-methoxyphenyl)-5-fluorobenzamide
SMILESCOc1c(Cl)cccc1NC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H10BrClFNO2/c1-20-13-11(16)3-2-4-12(13)18-14(19)8-5-9(15)7-10(17)6-8/h2-7H,1H3,(H,18,19)
InChIKeyHHCVUOIUOHQNEI-UHFFFAOYSA-N
MW358.59 g/mol
LogP4.50
Rot. Bonds3

About 3-bromo-N-(3-chloro-2-methoxyphenyl)-5-fluorobenzamide

3-bromo-N-(3-chloro-2-methoxyphenyl)-5-fluorobenzamide (PubChem CID 47382946) has the molecular formula C14H10BrClFNO2 and a molecular weight of 358.59 g/mol. Its IUPAC name is 3-bromo-N-(3-chloro-2-methoxyphenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-chloro-2-methoxyphenyl)-5-fluorobenzamide
PubChem CID47382946
Molecular FormulaC14H10BrClFNO2
Molecular Weight358.59 g/mol
Exact Mass356.96
IUPAC Name3-bromo-N-(3-chloro-2-methoxyphenyl)-5-fluorobenzamide
SMILESCOc1c(Cl)cccc1NC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H10BrClFNO2/c1-20-13-11(16)3-2-4-12(13)18-14(19)8-5-9(15)7-10(17)6-8/h2-7H,1H3,(H,18,19)
InChIKeyHHCVUOIUOHQNEI-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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Related Compounds

3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide
CID 47317753
3,5-dibromo-N-(2-bromo-3-chlorophenyl)benzamide
CID 107972381
3-bromo-5-fluoro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 110426879
2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107047530
3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832762
3-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
CID 103477081
3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
CID 107980200
3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide
CID 46489276
3-bromo-5-chloro-N-(2,3-dichlorophenyl)benzamide
CID 107951523
N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide
CID 103479730
3-bromo-N-(4-carbamothioyl-2-chlorophenyl)-5-fluorobenzamide
CID 107808488
3,5-dibromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 22777208

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chloro-2-methoxyphenyl)-5-fluorobenzamide?
The IUPAC name of 3-bromo-N-(3-chloro-2-methoxyphenyl)-5-fluorobenzamide (CID 47382946) is 3-bromo-N-(3-chloro-2-methoxyphenyl)-5-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(3-chloro-2-methoxyphenyl)-5-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(3-chloro-2-methoxyphenyl)-5-fluorobenzamide is COc1c(Cl)cccc1NC(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-N-(3-chloro-2-methoxyphenyl)-5-fluorobenzamide?
The InChIKey is HHCVUOIUOHQNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO2/c1-20-13-11(16)3-2-4-12(13)18-14(19)8-5-9(15)7-10(17)6-8/h2-7H,1H3,(H,18,19).
What are the key properties of 3-bromo-N-(3-chloro-2-methoxyphenyl)-5-fluorobenzamide?
3-bromo-N-(3-chloro-2-methoxyphenyl)-5-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 3-bromo-N-(3-chloro-2-methoxyphenyl)-5-fluorobenzamide is sourced from PubChem (CID 47382946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).