2-bromo-N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]benzamide

C24H28BrN3O2 — CID 1055999

IUPAC2-bromo-N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)C3CCCCC3)CC2)cc1)c1ccccc1Br
InChIInChI=1S/C24H28BrN3O2/c25-22-9-5-4-8-21(22)23(29)26-19-10-12-20(13-11-19)27-14-16-28(17-15-27)24(30)18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14-17H2,(H,26,29)
InChIKeyVSEGAPCWBKXZQS-UHFFFAOYSA-N
MW470.41 g/mol
LogP4.93
Rot. Bonds4

About 2-bromo-N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]benzamide

2-bromo-N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]benzamide (PubChem CID 1055999) has the molecular formula C24H28BrN3O2 and a molecular weight of 470.41 g/mol. Its IUPAC name is 2-bromo-N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]benzamide
PubChem CID1055999
Molecular FormulaC24H28BrN3O2
Molecular Weight470.41 g/mol
Exact Mass469.14
IUPAC Name2-bromo-N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)C3CCCCC3)CC2)cc1)c1ccccc1Br
InChIInChI=1S/C24H28BrN3O2/c25-22-9-5-4-8-21(22)23(29)26-19-10-12-20(13-11-19)27-14-16-28(17-15-27)24(30)18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14-17H2,(H,26,29)
InChIKeyVSEGAPCWBKXZQS-UHFFFAOYSA-N
XLogP4.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide
CID 112502796
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
CID 1055992
2-bromo-N-(4-morpholin-4-ylphenyl)benzamide
CID 1181771
2-bromo-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 2231786
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-3,5-dimethoxybenzamide
CID 1055982
cyclohexyl-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777393
2-bromo-N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17127940
2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 28987913
1-(3-chlorophenyl)-3-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]urea
CID 1056361
2-bromo-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 4501591
2-bromo-N-[4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17092733

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]benzamide?
The IUPAC name of 2-bromo-N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]benzamide (CID 1055999) is 2-bromo-N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]benzamide is O=C(Nc1ccc(N2CCN(C(=O)C3CCCCC3)CC2)cc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]benzamide?
The InChIKey is VSEGAPCWBKXZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrN3O2/c25-22-9-5-4-8-21(22)23(29)26-19-10-12-20(13-11-19)27-14-16-28(17-15-27)24(30)18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14-17H2,(H,26,29).
What are the key properties of 2-bromo-N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]benzamide?
2-bromo-N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]benzamide has a molecular weight of 470.41 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]benzamide is sourced from PubChem (CID 1055999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).