5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide

C19H14BrCl2F2N3O2 — CID 19393012

IUPAC5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide
SMILESCc1cc(NC(=O)c2cc(Br)ccc2OC(F)F)nn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H14BrCl2F2N3O2/c1-10-6-17(26-27(10)9-11-2-4-14(21)15(22)7-11)25-18(28)13-8-12(20)3-5-16(13)29-19(23)24/h2-8,19H,9H2,1H3,(H,25,26,28)
InChIKeyYPPCRMMAHFGLNE-UHFFFAOYSA-N
MW505.15 g/mol
LogP6.16
Rot. Bonds6

About 5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide

5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide (PubChem CID 19393012) has the molecular formula C19H14BrCl2F2N3O2 and a molecular weight of 505.15 g/mol. Its IUPAC name is 5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide
PubChem CID19393012
Molecular FormulaC19H14BrCl2F2N3O2
Molecular Weight505.15 g/mol
Exact Mass502.96
IUPAC Name5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide
SMILESCc1cc(NC(=O)c2cc(Br)ccc2OC(F)F)nn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H14BrCl2F2N3O2/c1-10-6-17(26-27(10)9-11-2-4-14(21)15(22)7-11)25-18(28)13-8-12(20)3-5-16(13)29-19(23)24/h2-8,19H,9H2,1H3,(H,25,26,28)
InChIKeyYPPCRMMAHFGLNE-UHFFFAOYSA-N
XLogP6.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.15
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide
CID 19393007
5-bromo-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide
CID 19337211
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide
CID 19393006
5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide
CID 19393131
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 19393072
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide
CID 19392905
2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19392908
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19392903
5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393442
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19393020
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19393000
5-bromo-2-(difluoromethoxy)-N-methylbenzamide
CID 59703438

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide?
The IUPAC name of 5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide (CID 19393012) is 5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide?
The canonical SMILES for 5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide is Cc1cc(NC(=O)c2cc(Br)ccc2OC(F)F)nn1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide?
The InChIKey is YPPCRMMAHFGLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrCl2F2N3O2/c1-10-6-17(26-27(10)9-11-2-4-14(21)15(22)7-11)25-18(28)13-8-12(20)3-5-16(13)29-19(23)24/h2-8,19H,9H2,1H3,(H,25,26,28).
What are the key properties of 5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide?
5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide has a molecular weight of 505.15 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 19393012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).