2-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-3-yl]-2-oxo-N-(1H-pyrazol-5-yl)acetamide

C20H14ClFN4O2 — CID 22256817

IUPAC2-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-3-yl]-2-oxo-N-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Nc1ccn[nH]1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2cc(F)ccc12
InChIInChI=1S/C20H14ClFN4O2/c21-13-3-1-12(2-4-13)10-26-11-16(15-6-5-14(22)9-17(15)26)19(27)20(28)24-18-7-8-23-25-18/h1-9,11H,10H2,(H2,23,24,25,28)
InChIKeyAWMQPKUAPDTMGJ-UHFFFAOYSA-N
MW396.81 g/mol
LogP4.03
Rot. Bonds5

About 2-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-3-yl]-2-oxo-N-(1H-pyrazol-5-yl)acetamide

2-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-3-yl]-2-oxo-N-(1H-pyrazol-5-yl)acetamide (PubChem CID 22256817) has the molecular formula C20H14ClFN4O2 and a molecular weight of 396.81 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-3-yl]-2-oxo-N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-3-yl]-2-oxo-N-(1H-pyrazol-5-yl)acetamide
PubChem CID22256817
Molecular FormulaC20H14ClFN4O2
Molecular Weight396.81 g/mol
Exact Mass396.08
IUPAC Name2-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-3-yl]-2-oxo-N-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Nc1ccn[nH]1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2cc(F)ccc12
InChIInChI=1S/C20H14ClFN4O2/c21-13-3-1-12(2-4-13)10-26-11-16(15-6-5-14(22)9-17(15)26)19(27)20(28)24-18-7-8-23-25-18/h1-9,11H,10H2,(H2,23,24,25,28)
InChIKeyAWMQPKUAPDTMGJ-UHFFFAOYSA-N
XLogP4.03
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-3-yl]-2-oxo-N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-3-yl]-2-oxo-N-(1H-pyrazol-5-yl)acetamide (CID 22256817) is 2-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-3-yl]-2-oxo-N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-3-yl]-2-oxo-N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-3-yl]-2-oxo-N-(1H-pyrazol-5-yl)acetamide is O=C(Nc1ccn[nH]1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2cc(F)ccc12.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-3-yl]-2-oxo-N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is AWMQPKUAPDTMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O2/c21-13-3-1-12(2-4-13)10-26-11-16(15-6-5-14(22)9-17(15)26)19(27)20(28)24-18-7-8-23-25-18/h1-9,11H,10H2,(H2,23,24,25,28).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-3-yl]-2-oxo-N-(1H-pyrazol-5-yl)acetamide?
2-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-3-yl]-2-oxo-N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 396.81 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]-6-fluoroindol-3-yl]-2-oxo-N-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 22256817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).