[4-(3-chlorophenyl)piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone

C19H17ClFN3O — CID 4970031

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2[nH]1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H17ClFN3O/c20-14-2-1-3-16(12-14)23-6-8-24(9-7-23)19(25)18-11-13-10-15(21)4-5-17(13)22-18/h1-5,10-12,22H,6-9H2
InChIKeyKVTSPXYFIGIWDU-UHFFFAOYSA-N
MW357.82 g/mol
LogP3.92
Rot. Bonds2

About [4-(3-chlorophenyl)piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone (PubChem CID 4970031) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
PubChem CID4970031
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2[nH]1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H17ClFN3O/c20-14-2-1-3-16(12-14)23-6-8-24(9-7-23)19(25)18-11-13-10-15(21)4-5-17(13)22-18/h1-5,10-12,22H,6-9H2
InChIKeyKVTSPXYFIGIWDU-UHFFFAOYSA-N
XLogP3.92
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone (CID 4970031) is [4-(3-chlorophenyl)piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone is O=C(c1cc2cc(F)ccc2[nH]1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone?
The InChIKey is KVTSPXYFIGIWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c20-14-2-1-3-16(12-14)23-6-8-24(9-7-23)19(25)18-11-13-10-15(21)4-5-17(13)22-18/h1-5,10-12,22H,6-9H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone has a molecular weight of 357.82 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone is sourced from PubChem (CID 4970031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).