2-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide

C23H24Cl2FN5O2 — CID 24815647

IUPAC2-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3ccc(Cl)cc3F)CC2)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C23H24Cl2FN5O2/c1-29-23(18(25)13-27-29)17-12-16(4-6-21(17)33-2)28-22(32)14-30-7-9-31(10-8-30)20-5-3-15(24)11-19(20)26/h3-6,11-13H,7-10,14H2,1-2H3,(H,28,32)
InChIKeyBFCOBXBJIGFKNS-UHFFFAOYSA-N
MW492.38 g/mol
LogP4.30
Rot. Bonds6

About 2-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide

2-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide (PubChem CID 24815647) has the molecular formula C23H24Cl2FN5O2 and a molecular weight of 492.38 g/mol. Its IUPAC name is 2-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide
PubChem CID24815647
Molecular FormulaC23H24Cl2FN5O2
Molecular Weight492.38 g/mol
Exact Mass491.13
IUPAC Name2-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3ccc(Cl)cc3F)CC2)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C23H24Cl2FN5O2/c1-29-23(18(25)13-27-29)17-12-16(4-6-21(17)33-2)28-22(32)14-30-7-9-31(10-8-30)20-5-3-15(24)11-19(20)26/h3-6,11-13H,7-10,14H2,1-2H3,(H,28,32)
InChIKeyBFCOBXBJIGFKNS-UHFFFAOYSA-N
XLogP4.30
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide?
The IUPAC name of 2-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide (CID 24815647) is 2-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide.
What is the SMILES notation for 2-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide?
The canonical SMILES for 2-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide is COc1ccc(NC(=O)CN2CCN(c3ccc(Cl)cc3F)CC2)cc1-c1c(Cl)cnn1C.
What is the InChIKey of 2-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide?
The InChIKey is BFCOBXBJIGFKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2FN5O2/c1-29-23(18(25)13-27-29)17-12-16(4-6-21(17)33-2)28-22(32)14-30-7-9-31(10-8-30)20-5-3-15(24)11-19(20)26/h3-6,11-13H,7-10,14H2,1-2H3,(H,28,32).
What are the key properties of 2-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide?
2-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide has a molecular weight of 492.38 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide is sourced from PubChem (CID 24815647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).