2-[(2,4-difluorophenoxy)methyl]-N-(1-methylpyrazol-3-yl)benzamide

C18H15F2N3O2 — CID 4774851

IUPAC2-[(2,4-difluorophenoxy)methyl]-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccccc2COc2ccc(F)cc2F)n1
InChIInChI=1S/C18H15F2N3O2/c1-23-9-8-17(22-23)21-18(24)14-5-3-2-4-12(14)11-25-16-7-6-13(19)10-15(16)20/h2-10H,11H2,1H3,(H,21,22,24)
InChIKeyZZQDYXHLTOYTLM-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.53
Rot. Bonds5

About 2-[(2,4-difluorophenoxy)methyl]-N-(1-methylpyrazol-3-yl)benzamide

2-[(2,4-difluorophenoxy)methyl]-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 4774851) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is 2-[(2,4-difluorophenoxy)methyl]-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-[(2,4-difluorophenoxy)methyl]-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID4774851
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name2-[(2,4-difluorophenoxy)methyl]-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccccc2COc2ccc(F)cc2F)n1
InChIInChI=1S/C18H15F2N3O2/c1-23-9-8-17(22-23)21-18(24)14-5-3-2-4-12(14)11-25-16-7-6-13(19)10-15(16)20/h2-10H,11H2,1H3,(H,21,22,24)
InChIKeyZZQDYXHLTOYTLM-UHFFFAOYSA-N
XLogP3.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2,4-difluorophenoxy)methyl]-N-(1-methylpyrazol-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-fluorophenyl)methoxy]-N-(1-methylpyrazol-3-yl)benzamide
CID 24627289
4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide
CID 4774859
2-[(2,4-difluorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]benzamide
CID 4865684
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(1-methylpyrazol-3-yl)benzamide
CID 51237893
propan-2-yl 4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19585960
2-(2-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide
CID 16622031
2-fluoro-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide
CID 51237886
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 71938716
3-[(2,4-difluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284664
2-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 19576059
2-(2-fluoroanilino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 51335853
5-chloro-2-[(2,4-difluorophenoxy)methyl]-N-[(1S)-1-phenylethyl]benzamide
CID 141125072

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-N-(1-methylpyrazol-3-yl)benzamide (CID 4774851) is 2-[(2,4-difluorophenoxy)methyl]-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-[(2,4-difluorophenoxy)methyl]-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-[(2,4-difluorophenoxy)methyl]-N-(1-methylpyrazol-3-yl)benzamide is Cn1ccc(NC(=O)c2ccccc2COc2ccc(F)cc2F)n1.
What is the InChIKey of 2-[(2,4-difluorophenoxy)methyl]-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is ZZQDYXHLTOYTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-23-9-8-17(22-23)21-18(24)14-5-3-2-4-12(14)11-25-16-7-6-13(19)10-15(16)20/h2-10H,11H2,1H3,(H,21,22,24).
What are the key properties of 2-[(2,4-difluorophenoxy)methyl]-N-(1-methylpyrazol-3-yl)benzamide?
2-[(2,4-difluorophenoxy)methyl]-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 343.33 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenoxy)methyl]-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 4774851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).