2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide

C14H14F2N4O4 — CID 19283109

IUPAC2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C14H14F2N4O4/c1-9-8-12(20(22)23)18-19(9)7-6-17-13(21)10-4-2-3-5-11(10)24-14(15)16/h2-5,8,14H,6-7H2,1H3,(H,17,21)
InChIKeyKZDARCLSVLCMKB-UHFFFAOYSA-N
MW340.29 g/mol
LogP2.13
Rot. Bonds7

About 2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide

2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide (PubChem CID 19283109) has the molecular formula C14H14F2N4O4 and a molecular weight of 340.29 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide
PubChem CID19283109
Molecular FormulaC14H14F2N4O4
Molecular Weight340.29 g/mol
Exact Mass340.10
IUPAC Name2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C14H14F2N4O4/c1-9-8-12(20(22)23)18-19(9)7-6-17-13(21)10-4-2-3-5-11(10)24-14(15)16/h2-5,8,14H,6-7H2,1H3,(H,17,21)
InChIKeyKZDARCLSVLCMKB-UHFFFAOYSA-N
XLogP2.13
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 52.13
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide (CID 19283109) is 2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide is Cc1cc([N+](=O)[O-])nn1CCNC(=O)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide?
The InChIKey is KZDARCLSVLCMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O4/c1-9-8-12(20(22)23)18-19(9)7-6-17-13(21)10-4-2-3-5-11(10)24-14(15)16/h2-5,8,14H,6-7H2,1H3,(H,17,21).
What are the key properties of 2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide?
2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide has a molecular weight of 340.29 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 19283109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).