3-[(2,4-difluorophenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide

C21H21F2N3O2 — CID 19469059

IUPAC3-[(2,4-difluorophenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
SMILESCc1c(C(C)NC(=O)c2cccc(COc3ccc(F)cc3F)c2)cnn1C
InChIInChI=1S/C21H21F2N3O2/c1-13(18-11-24-26(3)14(18)2)25-21(27)16-6-4-5-15(9-16)12-28-20-8-7-17(22)10-19(20)23/h4-11,13H,12H2,1-3H3,(H,25,27)
InChIKeyBCHBWNKZNRGFHI-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.08
Rot. Bonds6

About 3-[(2,4-difluorophenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide

3-[(2,4-difluorophenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide (PubChem CID 19469059) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is 3-[(2,4-difluorophenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(2,4-difluorophenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
PubChem CID19469059
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC Name3-[(2,4-difluorophenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
SMILESCc1c(C(C)NC(=O)c2cccc(COc3ccc(F)cc3F)c2)cnn1C
InChIInChI=1S/C21H21F2N3O2/c1-13(18-11-24-26(3)14(18)2)25-21(27)16-6-4-5-15(9-16)12-28-20-8-7-17(22)10-19(20)23/h4-11,13H,12H2,1-3H3,(H,25,27)
InChIKeyBCHBWNKZNRGFHI-UHFFFAOYSA-N
XLogP4.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-difluorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292613
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19469039
4-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 19469767
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide
CID 19484764
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(2,4-difluorophenoxy)methyl]-N-methylbenzamide
CID 19458530
3-[(2,4-difluorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323819
3-[(2,4-difluorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19346642
2-(aminomethyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114325728
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide
CID 19407715
3-[(2,4-difluorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
CID 19282537
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide
CID 19335561
3-[(2,4-difluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284664

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-[(2,4-difluorophenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide (CID 19469059) is 3-[(2,4-difluorophenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-[(2,4-difluorophenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-[(2,4-difluorophenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide is Cc1c(C(C)NC(=O)c2cccc(COc3ccc(F)cc3F)c2)cnn1C.
What is the InChIKey of 3-[(2,4-difluorophenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is BCHBWNKZNRGFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c1-13(18-11-24-26(3)14(18)2)25-21(27)16-6-4-5-15(9-16)12-28-20-8-7-17(22)10-19(20)23/h4-11,13H,12H2,1-3H3,(H,25,27).
What are the key properties of 3-[(2,4-difluorophenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide?
3-[(2,4-difluorophenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 385.41 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 19469059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).