3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide

C24H24ClFN4O — CID 3236950

IUPAC3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
SMILESO=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C24H24ClFN4O/c25-20-5-1-3-18(15-20)24(31)28-17-23(19-4-2-10-27-16-19)30-13-11-29(12-14-30)22-8-6-21(26)7-9-22/h1-10,15-16,23H,11-14,17H2,(H,28,31)
InChIKeyYIYQWHXXRBXVRN-UHFFFAOYSA-N
MW438.93 g/mol
LogP4.17
Rot. Bonds6

About 3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide

3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide (PubChem CID 3236950) has the molecular formula C24H24ClFN4O and a molecular weight of 438.93 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
PubChem CID3236950
Molecular FormulaC24H24ClFN4O
Molecular Weight438.93 g/mol
Exact Mass438.16
IUPAC Name3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
SMILESO=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C24H24ClFN4O/c25-20-5-1-3-18(15-20)24(31)28-17-23(19-4-2-10-27-16-19)30-13-11-29(12-14-30)22-8-6-21(26)7-9-22/h1-10,15-16,23H,11-14,17H2,(H,28,31)
InChIKeyYIYQWHXXRBXVRN-UHFFFAOYSA-N
XLogP4.17
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide (CID 3236950) is 3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide is O=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide?
The InChIKey is YIYQWHXXRBXVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O/c25-20-5-1-3-18(15-20)24(31)28-17-23(19-4-2-10-27-16-19)30-13-11-29(12-14-30)22-8-6-21(26)7-9-22/h1-10,15-16,23H,11-14,17H2,(H,28,31).
What are the key properties of 3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide?
3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide has a molecular weight of 438.93 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 3236950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).