4,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)-1H-pyrrole-2-carboxamide

C9H4Cl4N4O — CID 114074743

IUPAC4,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1c(Cl)ncnc1Cl)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C9H4Cl4N4O/c10-3-1-4(16-6(3)11)9(18)17-5-7(12)14-2-15-8(5)13/h1-2,16H,(H,17,18)
InChIKeyCVAZGOAXHXTAOL-UHFFFAOYSA-N
MW325.97 g/mol
LogP3.67
Rot. Bonds2

About 4,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)-1H-pyrrole-2-carboxamide

4,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)-1H-pyrrole-2-carboxamide (PubChem CID 114074743) has the molecular formula C9H4Cl4N4O and a molecular weight of 325.97 g/mol. Its IUPAC name is 4,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)-1H-pyrrole-2-carboxamide
PubChem CID114074743
Molecular FormulaC9H4Cl4N4O
Molecular Weight325.97 g/mol
Exact Mass323.91
IUPAC Name4,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1c(Cl)ncnc1Cl)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C9H4Cl4N4O/c10-3-1-4(16-6(3)11)9(18)17-5-7(12)14-2-15-8(5)13/h1-2,16H,(H,17,18)
InChIKeyCVAZGOAXHXTAOL-UHFFFAOYSA-N
XLogP3.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.97
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)pyridine-4-carboxamide
CID 114074081
N-(5-bromo-2-pyridinyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 60713589
N-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 60785288
4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 64787518
4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide
CID 31301419
N-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 31301489
4,5-dichloro-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-pyrrole-2-carboxamide
CID 114053534
2-chloro-4-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 61398560
N-(4,6-dichloropyrimidin-5-yl)-4-methylsulfanylbenzamide
CID 114074697
3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide
CID 114074797
N-(2-bromo-4-fluorophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 43134338
N-(4-bromo-3-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 31302300

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)-1H-pyrrole-2-carboxamide (CID 114074743) is 4,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)-1H-pyrrole-2-carboxamide is O=C(Nc1c(Cl)ncnc1Cl)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of 4,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is CVAZGOAXHXTAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl4N4O/c10-3-1-4(16-6(3)11)9(18)17-5-7(12)14-2-15-8(5)13/h1-2,16H,(H,17,18).
What are the key properties of 4,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 325.97 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 114074743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).