2-[5-(3-fluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide

C19H16FN5O — CID 46997757

IUPAC2-[5-(3-fluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
SMILESCn1ncc(NC(=O)Cn2ccc3cc(-c4cccc(F)c4)ccc32)n1
InChIInChI=1S/C19H16FN5O/c1-24-21-11-18(23-24)22-19(26)12-25-8-7-15-9-14(5-6-17(15)25)13-3-2-4-16(20)10-13/h2-11H,12H2,1H3,(H,22,23,26)
InChIKeyVASPNHRBNHNBDP-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.21
Rot. Bonds4

About 2-[5-(3-fluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide

2-[5-(3-fluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide (PubChem CID 46997757) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
PubChem CID46997757
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name2-[5-(3-fluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
SMILESCn1ncc(NC(=O)Cn2ccc3cc(-c4cccc(F)c4)ccc32)n1
InChIInChI=1S/C19H16FN5O/c1-24-21-11-18(23-24)22-19(26)12-25-8-7-15-9-14(5-6-17(15)25)13-3-2-4-16(20)10-13/h2-11H,12H2,1H3,(H,22,23,26)
InChIKeyVASPNHRBNHNBDP-UHFFFAOYSA-N
XLogP3.21
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2,3-difluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
CID 46997061
3-[5-(3-fluorophenyl)indol-1-yl]propan-1-amine
CID 83968612
5-(3-fluorophenyl)-1-methylindazole
CID 134375389
methyl (2S)-4-methyl-2-[[2-(5-quinolin-3-ylindol-1-yl)acetyl]amino]pentanoate
CID 118708042
2-(5-fluoroindol-1-yl)-1-(3-fluorophenyl)ethanone
CID 63851474
2-(5-methoxyindol-1-yl)-N-pyridin-2-ylacetamide
CID 29137208
N-(2,4-difluoro-6-phenylphenyl)-2-(5-methoxyindol-1-yl)acetamide
CID 86843668
N-(3-fluorophenyl)-2-(2-formylimidazol-1-yl)acetamide
CID 62222625
2-[5-(2-methylindazol-6-yl)indol-1-yl]acetic acid
CID 167794477
1-(5-fluoroindol-1-yl)-3-methylbutan-2-one
CID 79395580
2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 63850800
2-(5-chloroindol-1-yl)-N-pyridin-3-ylacetamide
CID 39341577

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The IUPAC name of 2-[5-(3-fluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide (CID 46997757) is 2-[5-(3-fluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide.
What is the SMILES notation for 2-[5-(3-fluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The canonical SMILES for 2-[5-(3-fluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide is Cn1ncc(NC(=O)Cn2ccc3cc(-c4cccc(F)c4)ccc32)n1.
What is the InChIKey of 2-[5-(3-fluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The InChIKey is VASPNHRBNHNBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-24-21-11-18(23-24)22-19(26)12-25-8-7-15-9-14(5-6-17(15)25)13-3-2-4-16(20)10-13/h2-11H,12H2,1H3,(H,22,23,26).
What are the key properties of 2-[5-(3-fluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
2-[5-(3-fluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide has a molecular weight of 349.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide is sourced from PubChem (CID 46997757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).