N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(difluoromethoxy)benzamide

C18H12Cl3F2N3O2 — CID 19405253

IUPACN-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(difluoromethoxy)benzamide
SMILESO=C(Nc1nn(Cc2c(Cl)cccc2Cl)cc1Cl)c1ccccc1OC(F)F
InChIInChI=1S/C18H12Cl3F2N3O2/c19-12-5-3-6-13(20)11(12)8-26-9-14(21)16(25-26)24-17(27)10-4-1-2-7-15(10)28-18(22)23/h1-7,9,18H,8H2,(H,24,25,27)
InChIKeyICNDETNCSGMIEP-UHFFFAOYSA-N
MW446.67 g/mol
LogP5.75
Rot. Bonds6

About N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(difluoromethoxy)benzamide

N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(difluoromethoxy)benzamide (PubChem CID 19405253) has the molecular formula C18H12Cl3F2N3O2 and a molecular weight of 446.67 g/mol. Its IUPAC name is N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(difluoromethoxy)benzamide
PubChem CID19405253
Molecular FormulaC18H12Cl3F2N3O2
Molecular Weight446.67 g/mol
Exact Mass445.00
IUPAC NameN-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(difluoromethoxy)benzamide
SMILESO=C(Nc1nn(Cc2c(Cl)cccc2Cl)cc1Cl)c1ccccc1OC(F)F
InChIInChI=1S/C18H12Cl3F2N3O2/c19-12-5-3-6-13(20)11(12)8-26-9-14(21)16(25-26)24-17(27)10-4-1-2-7-15(10)28-18(22)23/h1-7,9,18H,8H2,(H,24,25,27)
InChIKeyICNDETNCSGMIEP-UHFFFAOYSA-N
XLogP5.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.67
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 19405275
2,4-dichloro-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19409055
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide
CID 19287829
2-chloro-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19401062
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-iodobenzamide
CID 19409059
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,6-dimethoxybenzamide
CID 19344949
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide
CID 19409145
2-[4-[[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500724
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19396570
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 19409168
N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide
CID 19400825
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513117

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(difluoromethoxy)benzamide?
The IUPAC name of N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(difluoromethoxy)benzamide (CID 19405253) is N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(difluoromethoxy)benzamide is O=C(Nc1nn(Cc2c(Cl)cccc2Cl)cc1Cl)c1ccccc1OC(F)F.
What is the InChIKey of N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(difluoromethoxy)benzamide?
The InChIKey is ICNDETNCSGMIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3F2N3O2/c19-12-5-3-6-13(20)11(12)8-26-9-14(21)16(25-26)24-17(27)10-4-1-2-7-15(10)28-18(22)23/h1-7,9,18H,8H2,(H,24,25,27).
What are the key properties of N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(difluoromethoxy)benzamide?
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(difluoromethoxy)benzamide has a molecular weight of 446.67 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 19405253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).