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

C19H15F2N5O — CID 46997061

IUPAC2-[5-(2,3-difluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
SMILESCn1ncc(NC(=O)Cn2ccc3cc(-c4cccc(F)c4F)ccc32)n1
InChIInChI=1S/C19H15F2N5O/c1-25-22-10-17(24-25)23-18(27)11-26-8-7-13-9-12(5-6-16(13)26)14-3-2-4-15(20)19(14)21/h2-10H,11H2,1H3,(H,23,24,27)
InChIKeyOBFKTUDEHWMXGT-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.35
Rot. Bonds4

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

2-[5-(2,3-difluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide (PubChem CID 46997061) has the molecular formula C19H15F2N5O and a molecular weight of 367.36 g/mol. Its IUPAC name is 2-[5-(2,3-difluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[5-(2,3-difluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
PubChem CID46997061
Molecular FormulaC19H15F2N5O
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name2-[5-(2,3-difluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
SMILESCn1ncc(NC(=O)Cn2ccc3cc(-c4cccc(F)c4F)ccc32)n1
InChIInChI=1S/C19H15F2N5O/c1-25-22-10-17(24-25)23-18(27)11-26-8-7-13-9-12(5-6-16(13)26)14-3-2-4-15(20)19(14)21/h2-10H,11H2,1H3,(H,23,24,27)
InChIKeyOBFKTUDEHWMXGT-UHFFFAOYSA-N
XLogP3.35
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3-fluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
CID 46997757
N-(2-ethyltriazol-4-yl)-2-[5-(2-methylphenyl)indazol-1-yl]acetamide
CID 46982211
2-(5-methoxyindol-1-yl)-N-pyridin-2-ylacetamide
CID 29137208
2-(5-bromoindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 4070259
2-[5-(2-methylindazol-6-yl)indol-1-yl]acetic acid
CID 167794477
N-(2-methyltriazol-4-yl)-2-[3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide
CID 46996351
2-(5-chloroindol-1-yl)-N-pyridin-3-ylacetamide
CID 39341577
N-(5-chloro-2-pyridinyl)-2-(5-methoxyindol-1-yl)acetamide
CID 29131192
N-(2,4-difluoro-6-phenylphenyl)-2-(5-methoxyindol-1-yl)acetamide
CID 86843668
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 90162606
5-(2,3-difluorophenyl)-1-ethylindole-3-carboxylic acid
CID 172654770
N-(5-bromo-2-pyridinyl)-2-(5-methoxyindol-1-yl)acetamide
CID 29139061

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-difluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The IUPAC name of 2-[5-(2,3-difluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide (CID 46997061) is 2-[5-(2,3-difluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide.
What is the SMILES notation for 2-[5-(2,3-difluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The canonical SMILES for 2-[5-(2,3-difluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide is Cn1ncc(NC(=O)Cn2ccc3cc(-c4cccc(F)c4F)ccc32)n1.
What is the InChIKey of 2-[5-(2,3-difluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The InChIKey is OBFKTUDEHWMXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O/c1-25-22-10-17(24-25)23-18(27)11-26-8-7-13-9-12(5-6-16(13)26)14-3-2-4-15(20)19(14)21/h2-10H,11H2,1H3,(H,23,24,27).
What are the key properties of 2-[5-(2,3-difluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
2-[5-(2,3-difluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide has a molecular weight of 367.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-difluorophenyl)indol-1-yl]-N-(2-methyltriazol-4-yl)acetamide is sourced from PubChem (CID 46997061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).