N-(cyclopropylmethyl)-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide

C18H17F3N2O2 — CID 1486036

IUPACN-(cyclopropylmethyl)-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
SMILESO=C(NCC1CC1)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)15-7-8-16(24)23(11-15)10-13-3-5-14(6-4-13)17(25)22-9-12-1-2-12/h3-8,11-12H,1-2,9-10H2,(H,22,25)
InChIKeyBDRISPFJLMJLJQ-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.06
Rot. Bonds5

About N-(cyclopropylmethyl)-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide

N-(cyclopropylmethyl)-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide (PubChem CID 1486036) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
PubChem CID1486036
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN-(cyclopropylmethyl)-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
SMILESO=C(NCC1CC1)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)15-7-8-16(24)23(11-15)10-13-3-5-14(6-4-13)17(25)22-9-12-1-2-12/h3-8,11-12H,1-2,9-10H2,(H,22,25)
InChIKeyBDRISPFJLMJLJQ-UHFFFAOYSA-N
XLogP3.06
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide (CID 1486036) is N-(cyclopropylmethyl)-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide is O=C(NCC1CC1)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide?
The InChIKey is BDRISPFJLMJLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c19-18(20,21)15-7-8-16(24)23(11-15)10-13-3-5-14(6-4-13)17(25)22-9-12-1-2-12/h3-8,11-12H,1-2,9-10H2,(H,22,25).
What are the key properties of N-(cyclopropylmethyl)-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide?
N-(cyclopropylmethyl)-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide has a molecular weight of 350.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide is sourced from PubChem (CID 1486036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).