N-[2-(2,6-difluorophenyl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

C19H19F2N3O — CID 71893059

IUPACN-[2-(2,6-difluorophenyl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCC1=NN(c2ccc(C(=O)NCCc3c(F)cccc3F)cc2)CC1
InChIInChI=1S/C19H19F2N3O/c1-13-10-12-24(23-13)15-7-5-14(6-8-15)19(25)22-11-9-16-17(20)3-2-4-18(16)21/h2-8H,9-12H2,1H3,(H,22,25)
InChIKeyLAKZYNRPRSPPSR-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.52
Rot. Bonds5

About N-[2-(2,6-difluorophenyl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

N-[2-(2,6-difluorophenyl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (PubChem CID 71893059) has the molecular formula C19H19F2N3O and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
PubChem CID71893059
Molecular FormulaC19H19F2N3O
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[2-(2,6-difluorophenyl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCC1=NN(c2ccc(C(=O)NCCc3c(F)cccc3F)cc2)CC1
InChIInChI=1S/C19H19F2N3O/c1-13-10-12-24(23-13)15-7-5-14(6-8-15)19(25)22-11-9-16-17(20)3-2-4-18(16)21/h2-8H,9-12H2,1H3,(H,22,25)
InChIKeyLAKZYNRPRSPPSR-UHFFFAOYSA-N
XLogP3.52
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

LY 188544
CID 126157
N1-benzyl-4-(dimethylamino)-3,5-difluorobenzamide
CID 2804201
4-amino-N-(1-phenylpropan-2-yl)benzamide
CID 2845137
4-(4-Dimethylamino-benzylidene)-2-(3-fluoro-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one
CID 5284927
2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(4-methylphenyl)acetamide
CID 600118
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CID 669457
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2462605
N-[4-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 2467585
N-(6-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}-6-oxohexyl)benzamide
CID 5839600
3-[2-(4-Acetylphenyl)hydrazono]piperidin-2-one
CID 9580543
N,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
CID 1306519
4-{[4-(trifluoromethyl)anilino]methyl}-1(2H)-phthalazinone
CID 4516216

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (CID 71893059) is N-[2-(2,6-difluorophenyl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is CC1=NN(c2ccc(C(=O)NCCc3c(F)cccc3F)cc2)CC1.
What is the InChIKey of N-[2-(2,6-difluorophenyl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The InChIKey is LAKZYNRPRSPPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O/c1-13-10-12-24(23-13)15-7-5-14(6-8-15)19(25)22-11-9-16-17(20)3-2-4-18(16)21/h2-8H,9-12H2,1H3,(H,22,25).
What are the key properties of N-[2-(2,6-difluorophenyl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
N-[2-(2,6-difluorophenyl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide has a molecular weight of 343.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is sourced from PubChem (CID 71893059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).