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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Related Compounds

N-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride
CID 21400337
2-[(2-amino-2-oxoethyl)-(6-chloropyrimidin-4-yl)amino]acetamide
CID 62923523
1,3-diamino-1-(6-chloropyrimidin-4-yl)urea
CID 174869580
4-[(6-chloropyrimidin-4-yl)-methylamino]benzonitrile
CID 62982188
1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea
CID 117075041
2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide
CID 113179470
(3,4-dichlorophenyl)-(methylideneamino)carbamic acid
CID 172861068
2-(N-acetyl-3,4-dichloroanilino)-N-(4-ethoxyphenyl)acetamide
CID 113179508
methyl N-amino-N-(3,4-dichlorophenyl)carbamate
CID 12789931
N,N-dibenzyl-6-chloropyrimidin-4-amine
CID 130157763
N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine
CID 160592150
2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 60725995

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).