5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide

C21H25ClFN3O2 — CID 42224226

IUPAC5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H25ClFN3O2/c1-28-20-8-7-16(22)15-17(20)21(27)24-9-4-10-25-11-13-26(14-12-25)19-6-3-2-5-18(19)23/h2-3,5-8,15H,4,9-14H2,1H3,(H,24,27)
InChIKeyZABWVAFZIVXIHZ-UHFFFAOYSA-N
MW405.90 g/mol
LogP3.43
Rot. Bonds7

About 5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide

5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide (PubChem CID 42224226) has the molecular formula C21H25ClFN3O2 and a molecular weight of 405.90 g/mol. Its IUPAC name is 5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
PubChem CID42224226
Molecular FormulaC21H25ClFN3O2
Molecular Weight405.90 g/mol
Exact Mass405.16
IUPAC Name5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H25ClFN3O2/c1-28-20-8-7-16(22)15-17(20)21(27)24-9-4-10-25-11-13-26(14-12-25)19-6-3-2-5-18(19)23/h2-3,5-8,15H,4,9-14H2,1H3,(H,24,27)
InChIKeyZABWVAFZIVXIHZ-UHFFFAOYSA-N
XLogP3.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.90
LogP ≤ 53.43
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

5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224442
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217
5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42273491
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3,4,5-trimethoxybenzamide
CID 42224164
2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224182
N'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389939
2-chloro-6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266795
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3,4-dimethoxybenzenesulfonamide
CID 42388939
2,5-dichloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide
CID 42175526
2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 11027407

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide (CID 42224226) is 5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide?
The InChIKey is ZABWVAFZIVXIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN3O2/c1-28-20-8-7-16(22)15-17(20)21(27)24-9-4-10-25-11-13-26(14-12-25)19-6-3-2-5-18(19)23/h2-3,5-8,15H,4,9-14H2,1H3,(H,24,27).
What are the key properties of 5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide?
5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide has a molecular weight of 405.90 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide is sourced from PubChem (CID 42224226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).