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

C18H13Cl2F2N3O2 — CID 19287829

IUPACN-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide
SMILESO=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H13Cl2F2N3O2/c19-14-7-2-1-4-12(14)9-25-10-15(20)16(24-25)23-17(26)11-5-3-6-13(8-11)27-18(21)22/h1-8,10,18H,9H2,(H,23,24,26)
InChIKeyXBNJVKCQFAZOOR-UHFFFAOYSA-N
MW412.22 g/mol
LogP5.09
Rot. Bonds6

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

N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide (PubChem CID 19287829) has the molecular formula C18H13Cl2F2N3O2 and a molecular weight of 412.22 g/mol. Its IUPAC name is N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide
PubChem CID19287829
Molecular FormulaC18H13Cl2F2N3O2
Molecular Weight412.22 g/mol
Exact Mass411.04
IUPAC NameN-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide
SMILESO=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H13Cl2F2N3O2/c19-14-7-2-1-4-12(14)9-25-10-15(20)16(24-25)23-17(26)11-5-3-6-13(8-11)27-18(21)22/h1-8,10,18H,9H2,(H,23,24,26)
InChIKeyXBNJVKCQFAZOOR-UHFFFAOYSA-N
XLogP5.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.22
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide
CID 19287808
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19344959
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide
CID 19287018
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 19287779
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19396864
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 19405275
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-nitrophenoxy)methyl]benzamide
CID 19287862
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-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504633
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(difluoromethoxy)benzamide
CID 19405253
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,3-dichlorophenoxy)methyl]benzamide
CID 19409427

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide?
The IUPAC name of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide (CID 19287829) is N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide is O=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide?
The InChIKey is XBNJVKCQFAZOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F2N3O2/c19-14-7-2-1-4-12(14)9-25-10-15(20)16(24-25)23-17(26)11-5-3-6-13(8-11)27-18(21)22/h1-8,10,18H,9H2,(H,23,24,26).
What are the key properties of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide?
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide has a molecular weight of 412.22 g/mol, XLogP of 5.09, 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-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 19287829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).