[5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-(4-methylpiperazin-1-yl)methanone

C21H21ClFN3O — CID 155524324

IUPAC[5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3cc(Cl)ccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H21ClFN3O/c1-24-8-10-25(11-9-24)21(27)20-13-16-12-17(22)4-7-19(16)26(20)14-15-2-5-18(23)6-3-15/h2-7,12-13H,8-11,14H2,1H3
InChIKeyTWGKPQAKBHYGDL-UHFFFAOYSA-N
MW385.87 g/mol
LogP3.87
Rot. Bonds3

About [5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-(4-methylpiperazin-1-yl)methanone

[5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 155524324) has the molecular formula C21H21ClFN3O and a molecular weight of 385.87 g/mol. Its IUPAC name is [5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID155524324
Molecular FormulaC21H21ClFN3O
Molecular Weight385.87 g/mol
Exact Mass385.14
IUPAC Name[5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3cc(Cl)ccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H21ClFN3O/c1-24-8-10-25(11-9-24)21(27)20-13-16-12-17(22)4-7-19(16)26(20)14-15-2-5-18(23)6-3-15/h2-7,12-13H,8-11,14H2,1H3
InChIKeyTWGKPQAKBHYGDL-UHFFFAOYSA-N
XLogP3.87
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 155524324) is [5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc3cc(Cl)ccc3n2Cc2ccc(F)cc2)CC1.
What is the InChIKey of [5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is TWGKPQAKBHYGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O/c1-24-8-10-25(11-9-24)21(27)20-13-16-12-17(22)4-7-19(16)26(20)14-15-2-5-18(23)6-3-15/h2-7,12-13H,8-11,14H2,1H3.
What are the key properties of [5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-(4-methylpiperazin-1-yl)methanone?
[5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 385.87 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 155524324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).