3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide

C11H6Cl3N3O — CID 114074797

IUPAC3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide
SMILESO=C(Nc1c(Cl)ncnc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C11H6Cl3N3O/c12-7-3-1-2-6(4-7)11(18)17-8-9(13)15-5-16-10(8)14/h1-5H,(H,17,18)
InChIKeyWQYNOMQDHZROBG-UHFFFAOYSA-N
MW302.55 g/mol
LogP3.69
Rot. Bonds2

About 3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide

3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide (PubChem CID 114074797) has the molecular formula C11H6Cl3N3O and a molecular weight of 302.55 g/mol. Its IUPAC name is 3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide
PubChem CID114074797
Molecular FormulaC11H6Cl3N3O
Molecular Weight302.55 g/mol
Exact Mass300.96
IUPAC Name3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide
SMILESO=C(Nc1c(Cl)ncnc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C11H6Cl3N3O/c12-7-3-1-2-6(4-7)11(18)17-8-9(13)15-5-16-10(8)14/h1-5H,(H,17,18)
InChIKeyWQYNOMQDHZROBG-UHFFFAOYSA-N
XLogP3.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.55
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 82811022
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122355868
N-(2-amino-6-methylphenyl)-3-chlorobenzamide
CID 43152332
3-chloro-N-(2-chloropyrimidin-4-yl)benzamide
CID 116798431
3-chloro-N-(2,4,5-trichlorophenyl)benzamide
CID 854431
N-(6-amino-3-pyridinyl)-3-chlorobenzamide
CID 62899569
3-chlorobenzohydrazide;bis(formonitrile)
CID 175536479
3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544619

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide?
The IUPAC name of 3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide (CID 114074797) is 3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide?
The canonical SMILES for 3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide is O=C(Nc1c(Cl)ncnc1Cl)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide?
The InChIKey is WQYNOMQDHZROBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3N3O/c12-7-3-1-2-6(4-7)11(18)17-8-9(13)15-5-16-10(8)14/h1-5H,(H,17,18).
What are the key properties of 3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide?
3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide has a molecular weight of 302.55 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide is sourced from PubChem (CID 114074797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).