N-[2-chloro-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2,2-trifluoroacetamide

C15H10ClF3N4O — CID 118618289

IUPACN-[2-chloro-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2,2-trifluoroacetamide
SMILESCn1cc(-c2nc(Cl)ncc2NC(=O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C15H10ClF3N4O/c1-23-7-9(8-4-2-3-5-11(8)23)12-10(6-20-14(16)22-12)21-13(24)15(17,18)19/h2-7H,1H3,(H,21,24)
InChIKeyQVIVJJWITUCNIE-UHFFFAOYSA-N
MW354.72 g/mol
LogP3.79
Rot. Bonds2

About N-[2-chloro-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2,2-trifluoroacetamide

N-[2-chloro-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2,2-trifluoroacetamide (PubChem CID 118618289) has the molecular formula C15H10ClF3N4O and a molecular weight of 354.72 g/mol. Its IUPAC name is N-[2-chloro-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2,2-trifluoroacetamide
PubChem CID118618289
Molecular FormulaC15H10ClF3N4O
Molecular Weight354.72 g/mol
Exact Mass354.05
IUPAC NameN-[2-chloro-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2,2-trifluoroacetamide
SMILESCn1cc(-c2nc(Cl)ncc2NC(=O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C15H10ClF3N4O/c1-23-7-9(8-4-2-3-5-11(8)23)12-10(6-20-14(16)22-12)21-13(24)15(17,18)19/h2-7H,1H3,(H,21,24)
InChIKeyQVIVJJWITUCNIE-UHFFFAOYSA-N
XLogP3.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-chloro-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2,2-trifluoroacetamide (CID 118618289) is N-[2-chloro-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-chloro-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-chloro-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2,2-trifluoroacetamide is Cn1cc(-c2nc(Cl)ncc2NC(=O)C(F)(F)F)c2ccccc21.
What is the InChIKey of N-[2-chloro-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2,2-trifluoroacetamide?
The InChIKey is QVIVJJWITUCNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O/c1-23-7-9(8-4-2-3-5-11(8)23)12-10(6-20-14(16)22-12)21-13(24)15(17,18)19/h2-7H,1H3,(H,21,24).
What are the key properties of N-[2-chloro-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2,2-trifluoroacetamide?
N-[2-chloro-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2,2-trifluoroacetamide has a molecular weight of 354.72 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 118618289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).