2-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide

C21H21F2N3O2 — CID 19576059

IUPAC2-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide
SMILESCCn1cc(CN(C)C(=O)c2ccccc2COc2ccc(F)cc2F)cn1
InChIInChI=1S/C21H21F2N3O2/c1-3-26-13-15(11-24-26)12-25(2)21(27)18-7-5-4-6-16(18)14-28-20-9-8-17(22)10-19(20)23/h4-11,13H,3,12,14H2,1-2H3
InChIKeyYBKRJGVGWVVTKP-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.03
Rot. Bonds7

About 2-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide

2-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide (PubChem CID 19576059) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is 2-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide
PubChem CID19576059
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC Name2-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide
SMILESCCn1cc(CN(C)C(=O)c2ccccc2COc2ccc(F)cc2F)cn1
InChIInChI=1S/C21H21F2N3O2/c1-3-26-13-15(11-24-26)12-25(2)21(27)18-7-5-4-6-16(18)14-28-20-9-8-17(22)10-19(20)23/h4-11,13H,3,12,14H2,1-2H3
InChIKeyYBKRJGVGWVVTKP-UHFFFAOYSA-N
XLogP4.03
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19585960
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 39891647
1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole
CID 64766010
1-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19279923
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
CID 31674674
methyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate
CID 116800061
2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60715430
N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 31798331
2-[(2,4-difluorophenoxy)methyl]-N-(1-methylpyrazol-3-yl)benzamide
CID 4774851
2-[(2,4-difluorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]benzamide
CID 4865684
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(2,4-difluorophenoxy)methyl]-N-methylthiophene-2-carboxamide
CID 19469801
2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(2-fluorophenyl)acetamide
CID 22194251

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide?
The IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide (CID 19576059) is 2-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide is CCn1cc(CN(C)C(=O)c2ccccc2COc2ccc(F)cc2F)cn1.
What is the InChIKey of 2-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide?
The InChIKey is YBKRJGVGWVVTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c1-3-26-13-15(11-24-26)12-25(2)21(27)18-7-5-4-6-16(18)14-28-20-9-8-17(22)10-19(20)23/h4-11,13H,3,12,14H2,1-2H3.
What are the key properties of 2-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide?
2-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide has a molecular weight of 385.41 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 19576059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).