2-chloro-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide

C15H13ClF3N3O — CID 71796960

IUPAC2-chloro-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C15H13ClF3N3O/c1-9-8-12(15(17,18)19)22-13(21-9)6-7-20-14(23)10-4-2-3-5-11(10)16/h2-5,8H,6-7H2,1H3,(H,20,23)
InChIKeyKZOYYXYXWKXEHB-UHFFFAOYSA-N
MW343.74 g/mol
LogP3.43
Rot. Bonds4

About 2-chloro-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide

2-chloro-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide (PubChem CID 71796960) has the molecular formula C15H13ClF3N3O and a molecular weight of 343.74 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide
PubChem CID71796960
Molecular FormulaC15H13ClF3N3O
Molecular Weight343.74 g/mol
Exact Mass343.07
IUPAC Name2-chloro-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C15H13ClF3N3O/c1-9-8-12(15(17,18)19)22-13(21-9)6-7-20-14(23)10-4-2-3-5-11(10)16/h2-5,8H,6-7H2,1H3,(H,20,23)
InChIKeyKZOYYXYXWKXEHB-UHFFFAOYSA-N
XLogP3.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.74
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide (CID 71796960) is 2-chloro-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)c2ccccc2Cl)n1.
What is the InChIKey of 2-chloro-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide?
The InChIKey is KZOYYXYXWKXEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O/c1-9-8-12(15(17,18)19)22-13(21-9)6-7-20-14(23)10-4-2-3-5-11(10)16/h2-5,8H,6-7H2,1H3,(H,20,23).
What are the key properties of 2-chloro-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide?
2-chloro-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide has a molecular weight of 343.74 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide is sourced from PubChem (CID 71796960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).