N-[(2-fluorophenyl)methyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

C19H16FN3O — CID 20954009

IUPACN-[(2-fluorophenyl)methyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESO=C(NCc1ccccc1F)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C19H16FN3O/c20-16-8-4-2-6-13(16)11-21-19(24)18-15-10-9-12-5-1-3-7-14(12)17(15)22-23-18/h1-8H,9-11H2,(H,21,24)(H,22,23)
InChIKeyHJZJXYQGPUCDKS-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.24
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

N-[(2-fluorophenyl)methyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 20954009) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID20954009
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC NameN-[(2-fluorophenyl)methyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESO=C(NCc1ccccc1F)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C19H16FN3O/c20-16-8-4-2-6-13(16)11-21-19(24)18-15-10-9-12-5-1-3-7-14(12)17(15)22-23-18/h1-8H,9-11H2,(H,21,24)(H,22,23)
InChIKeyHJZJXYQGPUCDKS-UHFFFAOYSA-N
XLogP3.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953968
N-[2-(dimethylamino)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953939
N-(2-morpholin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953986
N-[(2-fluorophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 761334
N-[(E)-4-(methylamino)-4-oxobut-2-enyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 122246984
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954148
N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 696865
N-[(2-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388826
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 71831326
N-(1H-1,2,4-triazol-5-yl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 71827942
N-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585352
N-[(2-fluorophenyl)methyl]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinoline-3-carboxamide
CID 159450912

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 20954009) is N-[(2-fluorophenyl)methyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is O=C(NCc1ccccc1F)c1[nH]nc2c1CCc1ccccc1-2.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is HJZJXYQGPUCDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c20-16-8-4-2-6-13(16)11-21-19(24)18-15-10-9-12-5-1-3-7-14(12)17(15)22-23-18/h1-8H,9-11H2,(H,21,24)(H,22,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
N-[(2-fluorophenyl)methyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 321.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 20954009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).