2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide

C22H28FN3O — CID 39306024

IUPAC2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C22H28FN3O/c1-18-7-6-8-19(17-18)26-15-13-25(14-16-26)12-5-4-11-24-22(27)20-9-2-3-10-21(20)23/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,24,27)
InChIKeyPHRUMTXSGNBXHA-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.47
Rot. Bonds7

About 2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide

2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide (PubChem CID 39306024) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is 2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
PubChem CID39306024
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C22H28FN3O/c1-18-7-6-8-19(17-18)26-15-13-25(14-16-26)12-5-4-11-24-22(27)20-9-2-3-10-21(20)23/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,24,27)
InChIKeyPHRUMTXSGNBXHA-UHFFFAOYSA-N
XLogP3.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 55662172
2-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 18120436
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60513204
6-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 78903550
N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide
CID 110444095
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 34250678
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
4-acetyl-3,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1H-pyrrole-2-carboxamide
CID 34246220
methane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide
CID 161383648

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide (CID 39306024) is 2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide is Cc1cccc(N2CCN(CCCCNC(=O)c3ccccc3F)CC2)c1.
What is the InChIKey of 2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide?
The InChIKey is PHRUMTXSGNBXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-18-7-6-8-19(17-18)26-15-13-25(14-16-26)12-5-4-11-24-22(27)20-9-2-3-10-21(20)23/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,24,27).
What are the key properties of 2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide?
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide has a molecular weight of 369.48 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide is sourced from PubChem (CID 39306024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).