2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide

C22H28FN3O2 — CID 42224182

IUPAC2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H28FN3O2/c1-2-28-21-11-6-3-8-18(21)22(27)24-12-7-13-25-14-16-26(17-15-25)20-10-5-4-9-19(20)23/h3-6,8-11H,2,7,12-17H2,1H3,(H,24,27)
InChIKeyGCOXPBMNHKYEGU-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.17
Rot. Bonds8

About 2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide

2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide (PubChem CID 42224182) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is 2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide
PubChem CID42224182
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC Name2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H28FN3O2/c1-2-28-21-11-6-3-8-18(21)22(27)24-12-7-13-25-14-16-26(17-15-25)20-10-5-4-9-19(20)23/h3-6,8-11H,2,7,12-17H2,1H3,(H,24,27)
InChIKeyGCOXPBMNHKYEGU-UHFFFAOYSA-N
XLogP3.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 13318490
2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
CID 47074532
5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42224226
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 127042300
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3,4,5-trimethoxybenzamide
CID 42224164
N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390044
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-propan-2-yloxamide
CID 42390042
4-ethoxy-3-fluoro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 42389063
2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 55660052
2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 11027407
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide?
The IUPAC name of 2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide (CID 42224182) is 2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide is CCOc1ccccc1C(=O)NCCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide?
The InChIKey is GCOXPBMNHKYEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-2-28-21-11-6-3-8-18(21)22(27)24-12-7-13-25-14-16-26(17-15-25)20-10-5-4-9-19(20)23/h3-6,8-11H,2,7,12-17H2,1H3,(H,24,27).
What are the key properties of 2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide?
2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide has a molecular weight of 385.48 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 42224182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).