N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexanecarboxamide

C13H14ClF3N2O — CID 4188469

IUPACN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1ncc(C(F)(F)F)cc1Cl)C1CCCCC1
InChIInChI=1S/C13H14ClF3N2O/c14-10-6-9(13(15,16)17)7-18-11(10)19-12(20)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,18,19,20)
InChIKeyJBVUFVYAJKTUFJ-UHFFFAOYSA-N
MW306.72 g/mol
LogP4.27
Rot. Bonds2

About N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexanecarboxamide

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexanecarboxamide (PubChem CID 4188469) has the molecular formula C13H14ClF3N2O and a molecular weight of 306.72 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexanecarboxamide
PubChem CID4188469
Molecular FormulaC13H14ClF3N2O
Molecular Weight306.72 g/mol
Exact Mass306.07
IUPAC NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1ncc(C(F)(F)F)cc1Cl)C1CCCCC1
InChIInChI=1S/C13H14ClF3N2O/c14-10-6-9(13(15,16)17)7-18-11(10)19-12(20)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,18,19,20)
InChIKeyJBVUFVYAJKTUFJ-UHFFFAOYSA-N
XLogP4.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexanecarboxamide (CID 4188469) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexanecarboxamide is O=C(Nc1ncc(C(F)(F)F)cc1Cl)C1CCCCC1.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexanecarboxamide?
The InChIKey is JBVUFVYAJKTUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O/c14-10-6-9(13(15,16)17)7-18-11(10)19-12(20)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,18,19,20).
What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexanecarboxamide?
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexanecarboxamide has a molecular weight of 306.72 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 4188469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).