N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide

C22H28FN3O — CID 42267300

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCCN2CCN(c3ccccc3F)CC2)c(C)c1
InChIInChI=1S/C22H28FN3O/c1-16-14-17(2)21(18(3)15-16)22(27)24-8-9-25-10-12-26(13-11-25)20-7-5-4-6-19(20)23/h4-7,14-15H,8-13H2,1-3H3,(H,24,27)
InChIKeyPDHNPFQBJBKOJA-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.30
Rot. Bonds5

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide (PubChem CID 42267300) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide
PubChem CID42267300
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCCN2CCN(c3ccccc3F)CC2)c(C)c1
InChIInChI=1S/C22H28FN3O/c1-16-14-17(2)21(18(3)15-16)22(27)24-8-9-25-10-12-26(13-11-25)20-7-5-4-6-19(20)23/h4-7,14-15H,8-13H2,1-3H3,(H,24,27)
InChIKeyPDHNPFQBJBKOJA-UHFFFAOYSA-N
XLogP3.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide (CID 42267300) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)NCCN2CCN(c3ccccc3F)CC2)c(C)c1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide?
The InChIKey is PDHNPFQBJBKOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-16-14-17(2)21(18(3)15-16)22(27)24-8-9-25-10-12-26(13-11-25)20-7-5-4-6-19(20)23/h4-7,14-15H,8-13H2,1-3H3,(H,24,27).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide has a molecular weight of 369.48 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 42267300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).