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

C14H13BrF2N4O4 — CID 19283114

IUPAC5-bromo-2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)c1cc(Br)ccc1OC(F)F
InChIInChI=1S/C14H13BrF2N4O4/c1-8-6-12(21(23)24)19-20(8)5-4-18-13(22)10-7-9(15)2-3-11(10)25-14(16)17/h2-3,6-7,14H,4-5H2,1H3,(H,18,22)
InChIKeyUUDDJYHMTJRELB-UHFFFAOYSA-N
MW419.18 g/mol
LogP2.89
Rot. Bonds7

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

5-bromo-2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide (PubChem CID 19283114) has the molecular formula C14H13BrF2N4O4 and a molecular weight of 419.18 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide
PubChem CID19283114
Molecular FormulaC14H13BrF2N4O4
Molecular Weight419.18 g/mol
Exact Mass418.01
IUPAC Name5-bromo-2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)c1cc(Br)ccc1OC(F)F
InChIInChI=1S/C14H13BrF2N4O4/c1-8-6-12(21(23)24)19-20(8)5-4-18-13(22)10-7-9(15)2-3-11(10)25-14(16)17/h2-3,6-7,14H,4-5H2,1H3,(H,18,22)
InChIKeyUUDDJYHMTJRELB-UHFFFAOYSA-N
XLogP2.89
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.18
LogP ≤ 52.89
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 5-bromo-2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

5-chloro-2-methoxy-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide
CID 19283230
(Z)-3-[4-(difluoromethoxy)phenyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]prop-2-enamide
CID 19283189
5-bromo-2-(difluoromethoxy)-N-methylbenzamide
CID 59703438
4-amino-1-methyl-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]pyrazole-3-carboxamide
CID 19620402
3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283152
2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283262
2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283212
5-bromo-2-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292362
5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393442
N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 19283258
5-[(2,4-difluorophenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 4865246
5-bromo-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(difluoromethoxy)benzamide
CID 19333186

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 5-bromo-2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide (CID 19283114) is 5-bromo-2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide is Cc1cc([N+](=O)[O-])nn1CCNC(=O)c1cc(Br)ccc1OC(F)F.
What is the InChIKey of 5-bromo-2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide?
The InChIKey is UUDDJYHMTJRELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N4O4/c1-8-6-12(21(23)24)19-20(8)5-4-18-13(22)10-7-9(15)2-3-11(10)25-14(16)17/h2-3,6-7,14H,4-5H2,1H3,(H,18,22).
What are the key properties of 5-bromo-2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide?
5-bromo-2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide has a molecular weight of 419.18 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(difluoromethoxy)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 19283114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).