2-(4-fluorophenyl)-N-[2-(1H-indazol-7-ylmethylamino)ethyl]acetamide

C18H19FN4O — CID 75377637

IUPAC2-(4-fluorophenyl)-N-[2-(1H-indazol-7-ylmethylamino)ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCNCc1cccc2cn[nH]c12
InChIInChI=1S/C18H19FN4O/c19-16-6-4-13(5-7-16)10-17(24)21-9-8-20-11-14-2-1-3-15-12-22-23-18(14)15/h1-7,12,20H,8-11H2,(H,21,24)(H,22,23)
InChIKeyQFRCPNKHHOVRRU-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.15
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[2-(1H-indazol-7-ylmethylamino)ethyl]acetamide

2-(4-fluorophenyl)-N-[2-(1H-indazol-7-ylmethylamino)ethyl]acetamide (PubChem CID 75377637) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(1H-indazol-7-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(1H-indazol-7-ylmethylamino)ethyl]acetamide
PubChem CID75377637
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name2-(4-fluorophenyl)-N-[2-(1H-indazol-7-ylmethylamino)ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCNCc1cccc2cn[nH]c12
InChIInChI=1S/C18H19FN4O/c19-16-6-4-13(5-7-16)10-17(24)21-9-8-20-11-14-2-1-3-15-12-22-23-18(14)15/h1-7,12,20H,8-11H2,(H,21,24)(H,22,23)
InChIKeyQFRCPNKHHOVRRU-UHFFFAOYSA-N
XLogP2.15
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2,2-difluoroethyl)-N-(1H-indazol-7-ylmethyl)-N'-methylethane-1,2-diamine
CID 155953082
N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine
CID 115684234
2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid
CID 69253351
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(1H-indazol-7-yl)acetamide
CID 34198690
4-fluoro-N-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethyl]benzamide
CID 46998774
N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 71923123
2-(4-chlorophenyl)sulfonyl-N-(1H-indazol-7-ylmethyl)ethanamine
CID 75377636
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
N-(2-aminooxyethyl)-2-(4-fluorophenyl)acetamide
CID 39243053
1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 111969416
1-(4-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol
CID 111969339
N-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020851

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(1H-indazol-7-ylmethylamino)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(1H-indazol-7-ylmethylamino)ethyl]acetamide (CID 75377637) is 2-(4-fluorophenyl)-N-[2-(1H-indazol-7-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(1H-indazol-7-ylmethylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(1H-indazol-7-ylmethylamino)ethyl]acetamide is O=C(Cc1ccc(F)cc1)NCCNCc1cccc2cn[nH]c12.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(1H-indazol-7-ylmethylamino)ethyl]acetamide?
The InChIKey is QFRCPNKHHOVRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c19-16-6-4-13(5-7-16)10-17(24)21-9-8-20-11-14-2-1-3-15-12-22-23-18(14)15/h1-7,12,20H,8-11H2,(H,21,24)(H,22,23).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(1H-indazol-7-ylmethylamino)ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-(1H-indazol-7-ylmethylamino)ethyl]acetamide has a molecular weight of 326.38 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(1H-indazol-7-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 75377637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).