3-chloro-N-(2-chloropyrimidin-4-yl)benzamide

C11H7Cl2N3O — CID 116798431

IUPAC3-chloro-N-(2-chloropyrimidin-4-yl)benzamide
SMILESO=C(Nc1ccnc(Cl)n1)c1cccc(Cl)c1
InChIInChI=1S/C11H7Cl2N3O/c12-8-3-1-2-7(6-8)10(17)15-9-4-5-14-11(13)16-9/h1-6H,(H,14,15,16,17)
InChIKeyGREASJXVYHYHJR-UHFFFAOYSA-N
MW268.10 g/mol
LogP3.04
Rot. Bonds2

About 3-chloro-N-(2-chloropyrimidin-4-yl)benzamide

3-chloro-N-(2-chloropyrimidin-4-yl)benzamide (PubChem CID 116798431) has the molecular formula C11H7Cl2N3O and a molecular weight of 268.10 g/mol. Its IUPAC name is 3-chloro-N-(2-chloropyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloropyrimidin-4-yl)benzamide
PubChem CID116798431
Molecular FormulaC11H7Cl2N3O
Molecular Weight268.10 g/mol
Exact Mass267.00
IUPAC Name3-chloro-N-(2-chloropyrimidin-4-yl)benzamide
SMILESO=C(Nc1ccnc(Cl)n1)c1cccc(Cl)c1
InChIInChI=1S/C11H7Cl2N3O/c12-8-3-1-2-7(6-8)10(17)15-9-4-5-14-11(13)16-9/h1-6H,(H,14,15,16,17)
InChIKeyGREASJXVYHYHJR-UHFFFAOYSA-N
XLogP3.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 116795202
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide
CID 116795223
N-(2-chloropyrimidin-4-yl)-5-methylfuran-3-carboxamide
CID 114824082
N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide
CID 116798448
3-[(3-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1040986
2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide
CID 116794886
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide
CID 114074797
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
N-(2-chloropyrimidin-4-yl)-2-iodobenzamide
CID 116795168

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloropyrimidin-4-yl)benzamide?
The IUPAC name of 3-chloro-N-(2-chloropyrimidin-4-yl)benzamide (CID 116798431) is 3-chloro-N-(2-chloropyrimidin-4-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-chloropyrimidin-4-yl)benzamide?
The canonical SMILES for 3-chloro-N-(2-chloropyrimidin-4-yl)benzamide is O=C(Nc1ccnc(Cl)n1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-chloropyrimidin-4-yl)benzamide?
The InChIKey is GREASJXVYHYHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O/c12-8-3-1-2-7(6-8)10(17)15-9-4-5-14-11(13)16-9/h1-6H,(H,14,15,16,17).
What are the key properties of 3-chloro-N-(2-chloropyrimidin-4-yl)benzamide?
3-chloro-N-(2-chloropyrimidin-4-yl)benzamide has a molecular weight of 268.10 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloropyrimidin-4-yl)benzamide is sourced from PubChem (CID 116798431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).