N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide

C21H24FN3O2 — CID 109046101

IUPACN-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCN1CCN(C(=O)c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H24FN3O2/c1-24-12-14-25(15-13-24)21(27)18-6-4-17(5-7-18)20(26)23-11-10-16-2-8-19(22)9-3-16/h2-9H,10-15H2,1H3,(H,23,26)
InChIKeyIZYAFNYAVUROAI-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.19
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide

N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide (PubChem CID 109046101) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
PubChem CID109046101
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCN1CCN(C(=O)c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H24FN3O2/c1-24-12-14-25(15-13-24)21(27)18-6-4-17(5-7-18)20(26)23-11-10-16-2-8-19(22)9-3-16/h2-9H,10-15H2,1H3,(H,23,26)
InChIKeyIZYAFNYAVUROAI-UHFFFAOYSA-N
XLogP2.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046103
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108960698
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230260
N-[3-(dimethylamino)propyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109045940
4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 11131484
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104407
N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide
CID 110791278
4-bromo-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 16889266
3-[(4-fluorophenyl)sulfonylamino]-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 55708983

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide (CID 109046101) is N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide is CN1CCN(C(=O)c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide?
The InChIKey is IZYAFNYAVUROAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-24-12-14-25(15-13-24)21(27)18-6-4-17(5-7-18)20(26)23-11-10-16-2-8-19(22)9-3-16/h2-9H,10-15H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide?
N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide has a molecular weight of 369.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109046101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).