3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide

C14H10Br2ClNO2 — CID 28881639

IUPAC3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide
SMILESCc1cc(Br)c(NC(=O)c2ccc(O)c(Cl)c2)c(Br)c1
InChIInChI=1S/C14H10Br2ClNO2/c1-7-4-9(15)13(10(16)5-7)18-14(20)8-2-3-12(19)11(17)6-8/h2-6,19H,1H3,(H,18,20)
InChIKeyVBNYPNIBWWFSOH-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.13
Rot. Bonds2

About 3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide

3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide (PubChem CID 28881639) has the molecular formula C14H10Br2ClNO2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide
PubChem CID28881639
Molecular FormulaC14H10Br2ClNO2
Molecular Weight419.50 g/mol
Exact Mass416.88
IUPAC Name3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide
SMILESCc1cc(Br)c(NC(=O)c2ccc(O)c(Cl)c2)c(Br)c1
InChIInChI=1S/C14H10Br2ClNO2/c1-7-4-9(15)13(10(16)5-7)18-14(20)8-2-3-12(19)11(17)6-8/h2-6,19H,1H3,(H,18,20)
InChIKeyVBNYPNIBWWFSOH-UHFFFAOYSA-N
XLogP5.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-6-fluorophenyl)-3-chloro-4-hydroxybenzamide
CID 107600810
N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide
CID 60629541
3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 107999165
3-chloro-N-(2-fluoro-4-methylphenyl)-4-hydroxybenzamide
CID 28881729
2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 2804969
N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide
CID 107722300
N-(2-bromo-4-chlorophenyl)-3-chloro-4-hydroxybenzamide
CID 81271353
N-(2,6-dibromophenyl)-4-hydroxy-3-methylbenzamide
CID 107676885
3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107999237
3-chloro-4-hydroxy-N-(2-methylphenyl)benzamide
CID 18104256
3-(chloromethyl)-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 43333549
N-(2-bromo-4-fluorophenyl)-3-chloro-4-hydroxybenzamide
CID 28938603

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide (CID 28881639) is 3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide is Cc1cc(Br)c(NC(=O)c2ccc(O)c(Cl)c2)c(Br)c1.
What is the InChIKey of 3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide?
The InChIKey is VBNYPNIBWWFSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClNO2/c1-7-4-9(15)13(10(16)5-7)18-14(20)8-2-3-12(19)11(17)6-8/h2-6,19H,1H3,(H,18,20).
What are the key properties of 3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide?
3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide has a molecular weight of 419.50 g/mol, XLogP of 5.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide is sourced from PubChem (CID 28881639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).