2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]propanamide

C18H15F3N2O2 — CID 58487226

IUPAC2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1
InChIInChI=1S/C18H15F3N2O2/c1-10(2)17(24)23-14-8-7-11(9-22-14)15-12-5-3-4-6-13(12)25-16(15)18(19,20)21/h3-10H,1-2H3,(H,22,23,24)
InChIKeyYUZAPMBPBTVFBT-UHFFFAOYSA-N
MW348.32 g/mol
LogP5.11
Rot. Bonds3

About 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]propanamide

2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]propanamide (PubChem CID 58487226) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]propanamide
PubChem CID58487226
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1
InChIInChI=1S/C18H15F3N2O2/c1-10(2)17(24)23-14-8-7-11(9-22-14)15-12-5-3-4-6-13(12)25-16(15)18(19,20)21/h3-10H,1-2H3,(H,22,23,24)
InChIKeyYUZAPMBPBTVFBT-UHFFFAOYSA-N
XLogP5.11
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.32
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Afn-1252
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Padnarsertib
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4-Acylamino-6-arylfuro[2,3-d]pyrimidine 24
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(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxospiro[5,8-dihydro-1,8-naphthyridine-6,4'-piperidine]-3-yl)prop-2-enamide
CID 23658205
1-(3-Methyl-benzofuran-2-carbonyl)-3-(3-methyl-pyridin-2-yl)-thiourea
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4-(1-Benzofuran-5-yl)pyridin-2-amine
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N-Methyl-N-[(3-Methyl-1-Benzofuran-2-Yl)methyl]-3-(7-Oxo-5,6,7,8-Tetrahydro-1,8-Naphthyridin-3-Yl)propanamide
CID 57576874
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-(5-trifluoromethyl-pyridin-2-yl)-amine
CID 11574624
N-(4-methylpyridin-2-yl)-1-benzofuran-2-carboxamide
CID 2872083
5-methoxy-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 16382764
3-methyl-N-(5-methyl-2-pyridinyl)-2-benzofurancarboxamide
CID 18106749

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]propanamide?
The IUPAC name of 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]propanamide (CID 58487226) is 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]propanamide?
The canonical SMILES for 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]propanamide is CC(C)C(=O)Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1.
What is the InChIKey of 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]propanamide?
The InChIKey is YUZAPMBPBTVFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-10(2)17(24)23-14-8-7-11(9-22-14)15-12-5-3-4-6-13(12)25-16(15)18(19,20)21/h3-10H,1-2H3,(H,22,23,24).
What are the key properties of 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]propanamide?
2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]propanamide has a molecular weight of 348.32 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 58487226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).