N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-ethylpyrimidine-5-carboxamide

C15H10ClF6N3O — CID 10787015

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-ethylpyrimidine-5-carboxamide
SMILESCCc1nc(Cl)ncc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H10ClF6N3O/c1-2-11-10(6-23-13(16)25-11)12(26)24-9-4-7(14(17,18)19)3-8(5-9)15(20,21)22/h3-6H,2H2,1H3,(H,24,26)
InChIKeyODRMXBSDOYWKNE-UHFFFAOYSA-N
MW397.71 g/mol
LogP4.98
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-ethylpyrimidine-5-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-ethylpyrimidine-5-carboxamide (PubChem CID 10787015) has the molecular formula C15H10ClF6N3O and a molecular weight of 397.71 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-ethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-ethylpyrimidine-5-carboxamide
PubChem CID10787015
Molecular FormulaC15H10ClF6N3O
Molecular Weight397.71 g/mol
Exact Mass397.04
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-ethylpyrimidine-5-carboxamide
SMILESCCc1nc(Cl)ncc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H10ClF6N3O/c1-2-11-10(6-23-13(16)25-11)12(26)24-9-4-7(14(17,18)19)3-8(5-9)15(20,21)22/h3-6H,2H2,1H3,(H,24,26)
InChIKeyODRMXBSDOYWKNE-UHFFFAOYSA-N
XLogP4.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.71
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-ethylpyrimidine-5-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-ethylpyrimidine-5-carboxamide (CID 10787015) is N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-ethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-ethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-ethylpyrimidine-5-carboxamide is CCc1nc(Cl)ncc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-ethylpyrimidine-5-carboxamide?
The InChIKey is ODRMXBSDOYWKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF6N3O/c1-2-11-10(6-23-13(16)25-11)12(26)24-9-4-7(14(17,18)19)3-8(5-9)15(20,21)22/h3-6H,2H2,1H3,(H,24,26).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-ethylpyrimidine-5-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-ethylpyrimidine-5-carboxamide has a molecular weight of 397.71 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-ethylpyrimidine-5-carboxamide is sourced from PubChem (CID 10787015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).