2-chloro-N-(3,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

C12H5Cl3F3N3O — CID 2780275

IUPAC2-chloro-N-(3,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(Cl)nc1C(F)(F)F
InChIInChI=1S/C12H5Cl3F3N3O/c13-5-1-6(14)3-7(2-5)20-10(22)8-4-19-11(15)21-9(8)12(16,17)18/h1-4H,(H,20,22)
InChIKeyNLRGWKVQZPYNNM-UHFFFAOYSA-N
MW370.55 g/mol
LogP4.71
Rot. Bonds2

About 2-chloro-N-(3,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

2-chloro-N-(3,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 2780275) has the molecular formula C12H5Cl3F3N3O and a molecular weight of 370.55 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID2780275
Molecular FormulaC12H5Cl3F3N3O
Molecular Weight370.55 g/mol
Exact Mass368.95
IUPAC Name2-chloro-N-(3,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(Cl)nc1C(F)(F)F
InChIInChI=1S/C12H5Cl3F3N3O/c13-5-1-6(14)3-7(2-5)20-10(22)8-4-19-11(15)21-9(8)12(16,17)18/h1-4H,(H,20,22)
InChIKeyNLRGWKVQZPYNNM-UHFFFAOYSA-N
XLogP4.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.55
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-chloro-N-(3,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 2780275) is 2-chloro-N-(3,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(3,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-chloro-N-(3,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(Cl)nc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-(3,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is NLRGWKVQZPYNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3F3N3O/c13-5-1-6(14)3-7(2-5)20-10(22)8-4-19-11(15)21-9(8)12(16,17)18/h1-4H,(H,20,22).
What are the key properties of 2-chloro-N-(3,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
2-chloro-N-(3,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 370.55 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 2780275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).