2,4-dichloro-N-(2,6-dichloro-4-fluorophenyl)pyrimidine-5-carboxamide

C11H4Cl4FN3O — CID 171834809

IUPAC2,4-dichloro-N-(2,6-dichloro-4-fluorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Cl)c1cnc(Cl)nc1Cl
InChIInChI=1S/C11H4Cl4FN3O/c12-6-1-4(16)2-7(13)8(6)18-10(20)5-3-17-11(15)19-9(5)14/h1-3H,(H,18,20)
InChIKeyUOLXWXUXZVXGQX-UHFFFAOYSA-N
MW354.98 g/mol
LogP4.48
Rot. Bonds2

About 2,4-dichloro-N-(2,6-dichloro-4-fluorophenyl)pyrimidine-5-carboxamide

2,4-dichloro-N-(2,6-dichloro-4-fluorophenyl)pyrimidine-5-carboxamide (PubChem CID 171834809) has the molecular formula C11H4Cl4FN3O and a molecular weight of 354.98 g/mol. Its IUPAC name is 2,4-dichloro-N-(2,6-dichloro-4-fluorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2,6-dichloro-4-fluorophenyl)pyrimidine-5-carboxamide
PubChem CID171834809
Molecular FormulaC11H4Cl4FN3O
Molecular Weight354.98 g/mol
Exact Mass352.91
IUPAC Name2,4-dichloro-N-(2,6-dichloro-4-fluorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Cl)c1cnc(Cl)nc1Cl
InChIInChI=1S/C11H4Cl4FN3O/c12-6-1-4(16)2-7(13)8(6)18-10(20)5-3-17-11(15)19-9(5)14/h1-3H,(H,18,20)
InChIKeyUOLXWXUXZVXGQX-UHFFFAOYSA-N
XLogP4.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.98
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 82889174
4-chloro-2-methylsulfanyl-N-(2,4,6-trichlorophenyl)pyrimidine-5-carboxamide
CID 155195547
5-amino-N-(2,6-dichloro-4-fluorophenyl)pyridine-2-carboxamide
CID 83076458
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide
CID 83077757
2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 83078029
N-(2,6-dichloro-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 83078997
N-(2,6-dichloro-4-fluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387184
N-(2,6-dichloro-4-fluorophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104643020
2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide
CID 83076619
3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide
CID 115930651
5-bromo-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 82889340
4-amino-N-(2,6-dichloro-4-fluorophenyl)pyridine-2-carboxamide
CID 83079445

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2,6-dichloro-4-fluorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dichloro-N-(2,6-dichloro-4-fluorophenyl)pyrimidine-5-carboxamide (CID 171834809) is 2,4-dichloro-N-(2,6-dichloro-4-fluorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dichloro-N-(2,6-dichloro-4-fluorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dichloro-N-(2,6-dichloro-4-fluorophenyl)pyrimidine-5-carboxamide is O=C(Nc1c(Cl)cc(F)cc1Cl)c1cnc(Cl)nc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2,6-dichloro-4-fluorophenyl)pyrimidine-5-carboxamide?
The InChIKey is UOLXWXUXZVXGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl4FN3O/c12-6-1-4(16)2-7(13)8(6)18-10(20)5-3-17-11(15)19-9(5)14/h1-3H,(H,18,20).
What are the key properties of 2,4-dichloro-N-(2,6-dichloro-4-fluorophenyl)pyrimidine-5-carboxamide?
2,4-dichloro-N-(2,6-dichloro-4-fluorophenyl)pyrimidine-5-carboxamide has a molecular weight of 354.98 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2,6-dichloro-4-fluorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 171834809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).