2,6-dichloro-N-(2,4-dichloropyrimidin-5-yl)benzamide

C11H5Cl4N3O — CID 169100604

IUPAC2,6-dichloro-N-(2,4-dichloropyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(Cl)nc1Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H5Cl4N3O/c12-5-2-1-3-6(13)8(5)10(19)17-7-4-16-11(15)18-9(7)14/h1-4H,(H,17,19)
InChIKeyBZUHSNRABAZMBA-UHFFFAOYSA-N
MW336.99 g/mol
LogP4.34
Rot. Bonds2

About 2,6-dichloro-N-(2,4-dichloropyrimidin-5-yl)benzamide

2,6-dichloro-N-(2,4-dichloropyrimidin-5-yl)benzamide (PubChem CID 169100604) has the molecular formula C11H5Cl4N3O and a molecular weight of 336.99 g/mol. Its IUPAC name is 2,6-dichloro-N-(2,4-dichloropyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2,4-dichloropyrimidin-5-yl)benzamide
PubChem CID169100604
Molecular FormulaC11H5Cl4N3O
Molecular Weight336.99 g/mol
Exact Mass334.92
IUPAC Name2,6-dichloro-N-(2,4-dichloropyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(Cl)nc1Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H5Cl4N3O/c12-5-2-1-3-6(13)8(5)10(19)17-7-4-16-11(15)18-9(7)14/h1-4H,(H,17,19)
InChIKeyBZUHSNRABAZMBA-UHFFFAOYSA-N
XLogP4.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.99
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-(5-iodo-2-pyridinyl)benzamide
CID 23440185
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113247998
2,6-dichloro-N-(2,4-dichlorophenyl)benzamide
CID 3637585
2,6-dichloro-N-(2,5-dimethylphenyl)benzamide
CID 3534518
2,6-dichloro-N-[(6-phenyl-3-pyridinyl)carbamoyl]benzamide
CID 13242737
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzamide
CID 82756818
N-(2-aminopyrimidin-4-yl)-2,6-dichlorobenzamide
CID 59618305
2,6-dichloro-N-[(5-chloro-2-pyridinyl)carbamoyl]benzamide
CID 23345083
2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide
CID 21313073
2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 4547297

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2,4-dichloropyrimidin-5-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-(2,4-dichloropyrimidin-5-yl)benzamide (CID 169100604) is 2,6-dichloro-N-(2,4-dichloropyrimidin-5-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(2,4-dichloropyrimidin-5-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(2,4-dichloropyrimidin-5-yl)benzamide is O=C(Nc1cnc(Cl)nc1Cl)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(2,4-dichloropyrimidin-5-yl)benzamide?
The InChIKey is BZUHSNRABAZMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl4N3O/c12-5-2-1-3-6(13)8(5)10(19)17-7-4-16-11(15)18-9(7)14/h1-4H,(H,17,19).
What are the key properties of 2,6-dichloro-N-(2,4-dichloropyrimidin-5-yl)benzamide?
2,6-dichloro-N-(2,4-dichloropyrimidin-5-yl)benzamide has a molecular weight of 336.99 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2,4-dichloropyrimidin-5-yl)benzamide is sourced from PubChem (CID 169100604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).