3,4-difluoro-N-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)ethyl]benzamide

C16H16F2N4O2 — CID 126792931

IUPAC3,4-difluoro-N-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)c(F)c1)NC1CCc2[nH]ncc2C1
InChIInChI=1S/C16H16F2N4O2/c17-12-3-1-9(6-13(12)18)16(24)19-8-15(23)21-11-2-4-14-10(5-11)7-20-22-14/h1,3,6-7,11H,2,4-5,8H2,(H,19,24)(H,20,22)(H,21,23)
InChIKeyLFZYKRBZLWHZKR-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.09
Rot. Bonds4

About 3,4-difluoro-N-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)ethyl]benzamide

3,4-difluoro-N-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)ethyl]benzamide (PubChem CID 126792931) has the molecular formula C16H16F2N4O2 and a molecular weight of 334.33 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)ethyl]benzamide
PubChem CID126792931
Molecular FormulaC16H16F2N4O2
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name3,4-difluoro-N-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)c(F)c1)NC1CCc2[nH]ncc2C1
InChIInChI=1S/C16H16F2N4O2/c17-12-3-1-9(6-13(12)18)16(24)19-8-15(23)21-11-2-4-14-10(5-11)7-20-22-14/h1,3,6-7,11H,2,4-5,8H2,(H,19,24)(H,20,22)(H,21,23)
InChIKeyLFZYKRBZLWHZKR-UHFFFAOYSA-N
XLogP1.09
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3,4-difluoro-N-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)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

3-(2-fluorophenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-5-carboxamide
CID 97149757
1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 71909222
3-(3-hydroxy-3-methylbutyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 70713171
4-(2,4-dioxoimidazolidin-1-yl)-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide
CID 97137408
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 126769620
2-[(2-chlorophenyl)methoxy]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide
CID 126783698
1-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97078030
2-(difluoromethoxy)-4-methoxy-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide
CID 124728391
2-chloro-5-(3,3-dimethylbutanoylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 126788691
N-(5-methyl-2-pyridinyl)-3-[[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]carbamoylamino]propanamide
CID 124578647
1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 75383144
5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide
CID 166218790

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)ethyl]benzamide (CID 126792931) is 3,4-difluoro-N-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)ethyl]benzamide is O=C(CNC(=O)c1ccc(F)c(F)c1)NC1CCc2[nH]ncc2C1.
What is the InChIKey of 3,4-difluoro-N-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)ethyl]benzamide?
The InChIKey is LFZYKRBZLWHZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2/c17-12-3-1-9(6-13(12)18)16(24)19-8-15(23)21-11-2-4-14-10(5-11)7-20-22-14/h1,3,6-7,11H,2,4-5,8H2,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of 3,4-difluoro-N-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)ethyl]benzamide?
3,4-difluoro-N-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)ethyl]benzamide has a molecular weight of 334.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)ethyl]benzamide is sourced from PubChem (CID 126792931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).