4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]benzamide

C20H18ClF2N3O3 — CID 4865700

IUPAC4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)ccc1OC(F)F
InChIInChI=1S/C20H18ClF2N3O3/c1-2-28-18-9-16(7-8-17(18)29-20(22)23)25-19(27)14-5-3-13(4-6-14)11-26-12-15(21)10-24-26/h3-10,12,20H,2,11H2,1H3,(H,25,27)
InChIKeyWNCLDSJTRJKSBJ-UHFFFAOYSA-N
MW421.83 g/mol
LogP4.84
Rot. Bonds8

About 4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]benzamide

4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]benzamide (PubChem CID 4865700) has the molecular formula C20H18ClF2N3O3 and a molecular weight of 421.83 g/mol. Its IUPAC name is 4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]benzamide.

Molecular Properties

Compound Name4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]benzamide
PubChem CID4865700
Molecular FormulaC20H18ClF2N3O3
Molecular Weight421.83 g/mol
Exact Mass421.10
IUPAC Name4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)ccc1OC(F)F
InChIInChI=1S/C20H18ClF2N3O3/c1-2-28-18-9-16(7-8-17(18)29-20(22)23)25-19(27)14-5-3-13(4-6-14)11-26-12-15(21)10-24-26/h3-10,12,20H,2,11H2,1H3,(H,25,27)
InChIKeyWNCLDSJTRJKSBJ-UHFFFAOYSA-N
XLogP4.84
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.83
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-chloro-2-methylpyrazol-3-yl)-4-[2-(2-methoxyethylamino)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 57786637
N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 24889856
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 30019517
3-fluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-methylbenzamide
CID 40160448
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 708262
N-(3,4-dimethoxyphenyl)-1-methyl-3-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide
CID 76308690
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 41590651
N-[4-(4-chloro-1H-pyrazol-1-yl)phenyl]-4-[(4-fluorophenoxy)methyl]benzamide
CID 19590412
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-5-propylpyrazole-4-carboxamide
CID 2812061
4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]benzamide
CID 4865482
4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]benzamide
CID 4865527
4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]benzamide
CID 4865672

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]benzamide?
The IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]benzamide (CID 4865700) is 4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]benzamide.
What is the SMILES notation for 4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]benzamide?
The canonical SMILES for 4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]benzamide is CCOc1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)ccc1OC(F)F.
What is the InChIKey of 4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]benzamide?
The InChIKey is WNCLDSJTRJKSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3O3/c1-2-28-18-9-16(7-8-17(18)29-20(22)23)25-19(27)14-5-3-13(4-6-14)11-26-12-15(21)10-24-26/h3-10,12,20H,2,11H2,1H3,(H,25,27).
What are the key properties of 4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]benzamide?
4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]benzamide has a molecular weight of 421.83 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]benzamide is sourced from PubChem (CID 4865700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).