4-chloro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide

C24H26ClN3O3 — CID 41234538

IUPAC4-chloro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
SMILESCOc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(Cl)cc3)c3ccco3)CC2)cc1
InChIInChI=1S/C24H26ClN3O3/c1-30-21-10-8-20(9-11-21)27-12-14-28(15-13-27)22(23-3-2-16-31-23)17-26-24(29)18-4-6-19(25)7-5-18/h2-11,16,22H,12-15,17H2,1H3,(H,26,29)/t22-/m0/s1
InChIKeyIJNWOJZBCXTBIC-QFIPXVFZSA-N
MW439.94 g/mol
LogP4.23
Rot. Bonds7

About 4-chloro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide

4-chloro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 41234538) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
PubChem CID41234538
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Name4-chloro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
SMILESCOc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(Cl)cc3)c3ccco3)CC2)cc1
InChIInChI=1S/C24H26ClN3O3/c1-30-21-10-8-20(9-11-21)27-12-14-28(15-13-27)22(23-3-2-16-31-23)17-26-24(29)18-4-6-19(25)7-5-18/h2-11,16,22H,12-15,17H2,1H3,(H,26,29)/t22-/m0/s1
InChIKeyIJNWOJZBCXTBIC-QFIPXVFZSA-N
XLogP4.23
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 7163045
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 16809868
N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
CID 16810004
N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
CID 16810000
N'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 16809973
N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
CID 7163085
N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 7163049
N'-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-hydroxyethyl)oxamide
CID 7163027
N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N'-propan-2-yloxamide
CID 7163067
N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
CID 7163043
N'-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41234512
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide (CID 41234538) is 4-chloro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide is COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(Cl)cc3)c3ccco3)CC2)cc1.
What is the InChIKey of 4-chloro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is IJNWOJZBCXTBIC-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-30-21-10-8-20(9-11-21)27-12-14-28(15-13-27)22(23-3-2-16-31-23)17-26-24(29)18-4-6-19(25)7-5-18/h2-11,16,22H,12-15,17H2,1H3,(H,26,29)/t22-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
4-chloro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 439.94 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 41234538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).