(5-chloro-1H-indol-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C19H17ClFN3O — CID 4897400

IUPAC(5-chloro-1H-indol-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H17ClFN3O/c20-14-5-6-16-13(11-14)12-17(22-16)19(25)24-9-7-23(8-10-24)18-4-2-1-3-15(18)21/h1-6,11-12,22H,7-10H2
InChIKeyCNFXXPMDQPWCNF-UHFFFAOYSA-N
MW357.82 g/mol
LogP3.92
Rot. Bonds2

About (5-chloro-1H-indol-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(5-chloro-1H-indol-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 4897400) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID4897400
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC Name(5-chloro-1H-indol-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H17ClFN3O/c20-14-5-6-16-13(11-14)12-17(22-16)19(25)24-9-7-23(8-10-24)18-4-2-1-3-15(18)21/h1-6,11-12,22H,7-10H2
InChIKeyCNFXXPMDQPWCNF-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 (5-chloro-1H-indol-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 4897400) is (5-chloro-1H-indol-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is CNFXXPMDQPWCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c20-14-5-6-16-13(11-14)12-17(22-16)19(25)24-9-7-23(8-10-24)18-4-2-1-3-15(18)21/h1-6,11-12,22H,7-10H2.
What are the key properties of (5-chloro-1H-indol-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(5-chloro-1H-indol-2-yl)-[4-(2-fluorophenyl)piperazin-1-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 (5-chloro-1H-indol-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 4897400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).