N-(6-chloropyrimidin-4-yl)-N-(3,4-dichlorophenyl)carbamoyl chloride

C11H5Cl4N3O — CID 178189914

IUPACN-(6-chloropyrimidin-4-yl)-N-(3,4-dichlorophenyl)carbamoyl chloride
SMILESO=C(Cl)N(c1ccc(Cl)c(Cl)c1)c1cc(Cl)ncn1
InChIInChI=1S/C11H5Cl4N3O/c12-7-2-1-6(3-8(7)13)18(11(15)19)10-4-9(14)16-5-17-10/h1-5H
InChIKeyLPOJRKUOKDBHJQ-UHFFFAOYSA-N
MW336.99 g/mol
LogP4.93
Rot. Bonds2

About N-(6-chloropyrimidin-4-yl)-N-(3,4-dichlorophenyl)carbamoyl chloride

N-(6-chloropyrimidin-4-yl)-N-(3,4-dichlorophenyl)carbamoyl chloride (PubChem CID 178189914) has the molecular formula C11H5Cl4N3O and a molecular weight of 336.99 g/mol. Its IUPAC name is N-(6-chloropyrimidin-4-yl)-N-(3,4-dichlorophenyl)carbamoyl chloride.

Molecular Properties

Compound NameN-(6-chloropyrimidin-4-yl)-N-(3,4-dichlorophenyl)carbamoyl chloride
PubChem CID178189914
Molecular FormulaC11H5Cl4N3O
Molecular Weight336.99 g/mol
Exact Mass334.92
IUPAC NameN-(6-chloropyrimidin-4-yl)-N-(3,4-dichlorophenyl)carbamoyl chloride
SMILESO=C(Cl)N(c1ccc(Cl)c(Cl)c1)c1cc(Cl)ncn1
InChIInChI=1S/C11H5Cl4N3O/c12-7-2-1-6(3-8(7)13)18(11(15)19)10-4-9(14)16-5-17-10/h1-5H
InChIKeyLPOJRKUOKDBHJQ-UHFFFAOYSA-N
XLogP4.93
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.99
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrimidin-4-yl)-N-(3,4-dichlorophenyl)carbamoyl chloride?
The IUPAC name of N-(6-chloropyrimidin-4-yl)-N-(3,4-dichlorophenyl)carbamoyl chloride (CID 178189914) is N-(6-chloropyrimidin-4-yl)-N-(3,4-dichlorophenyl)carbamoyl chloride.
What is the SMILES notation for N-(6-chloropyrimidin-4-yl)-N-(3,4-dichlorophenyl)carbamoyl chloride?
The canonical SMILES for N-(6-chloropyrimidin-4-yl)-N-(3,4-dichlorophenyl)carbamoyl chloride is O=C(Cl)N(c1ccc(Cl)c(Cl)c1)c1cc(Cl)ncn1.
What is the InChIKey of N-(6-chloropyrimidin-4-yl)-N-(3,4-dichlorophenyl)carbamoyl chloride?
The InChIKey is LPOJRKUOKDBHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl4N3O/c12-7-2-1-6(3-8(7)13)18(11(15)19)10-4-9(14)16-5-17-10/h1-5H.
What are the key properties of N-(6-chloropyrimidin-4-yl)-N-(3,4-dichlorophenyl)carbamoyl chloride?
N-(6-chloropyrimidin-4-yl)-N-(3,4-dichlorophenyl)carbamoyl chloride has a molecular weight of 336.99 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrimidin-4-yl)-N-(3,4-dichlorophenyl)carbamoyl chloride is sourced from PubChem (CID 178189914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).