N-[2-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide

C20H18F2N4O4 — CID 4865710

IUPACN-[2-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
SMILESCc1nn(Cc2ccccc2C(=O)Nc2ccccc2OC(F)F)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C20H18F2N4O4/c1-12-18(26(28)29)13(2)25(24-12)11-14-7-3-4-8-15(14)19(27)23-16-9-5-6-10-17(16)30-20(21)22/h3-10,20H,11H2,1-2H3,(H,23,27)
InChIKeyUOVKWBYEKMGBSK-UHFFFAOYSA-N
MW416.38 g/mol
LogP4.31
Rot. Bonds7

About N-[2-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide

N-[2-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide (PubChem CID 4865710) has the molecular formula C20H18F2N4O4 and a molecular weight of 416.38 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
PubChem CID4865710
Molecular FormulaC20H18F2N4O4
Molecular Weight416.38 g/mol
Exact Mass416.13
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
SMILESCc1nn(Cc2ccccc2C(=O)Nc2ccccc2OC(F)F)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C20H18F2N4O4/c1-12-18(26(28)29)13(2)25(24-12)11-14-7-3-4-8-15(14)19(27)23-16-9-5-6-10-17(16)30-20(21)22/h3-10,20H,11H2,1-2H3,(H,23,27)
InChIKeyUOVKWBYEKMGBSK-UHFFFAOYSA-N
XLogP4.31
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide (CID 4865710) is N-[2-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide is Cc1nn(Cc2ccccc2C(=O)Nc2ccccc2OC(F)F)c(C)c1[N+](=O)[O-].
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide?
The InChIKey is UOVKWBYEKMGBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O4/c1-12-18(26(28)29)13(2)25(24-12)11-14-7-3-4-8-15(14)19(27)23-16-9-5-6-10-17(16)30-20(21)22/h3-10,20H,11H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide?
N-[2-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide has a molecular weight of 416.38 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 4865710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).