N-[(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide

C20H22BrClN4O — CID 1386479

IUPACN-[(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NN=Cc1ccccc1Br
InChIInChI=1S/C20H22BrClN4O/c21-19-4-2-1-3-17(19)13-23-24-20(27)15-26-11-9-25(10-12-26)14-16-5-7-18(22)8-6-16/h1-8,13H,9-12,14-15H2,(H,24,27)
InChIKeyUTMRNFCBOBTQJT-UHFFFAOYSA-N
MW449.78 g/mol
LogP3.37
Rot. Bonds6

About N-[(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide

N-[(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 1386479) has the molecular formula C20H22BrClN4O and a molecular weight of 449.78 g/mol. Its IUPAC name is N-[(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
PubChem CID1386479
Molecular FormulaC20H22BrClN4O
Molecular Weight449.78 g/mol
Exact Mass448.07
IUPAC NameN-[(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NN=Cc1ccccc1Br
InChIInChI=1S/C20H22BrClN4O/c21-19-4-2-1-3-17(19)13-23-24-20(27)15-26-11-9-25(10-12-26)14-16-5-7-18(22)8-6-16/h1-8,13H,9-12,14-15H2,(H,24,27)
InChIKeyUTMRNFCBOBTQJT-UHFFFAOYSA-N
XLogP3.37
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.78
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 6865451
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(2-methylphenyl)methylideneamino]acetamide
CID 1383048
2-(azepan-1-yl)-N-[(E)-(2-bromophenyl)methylideneamino]acetamide
CID 6894512
2-[(E)-[[2-(4-benzylpiperazin-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 6865035
2-(4-benzylpiperazin-1-yl)-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 135487283
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 6885338
N-[(2-aminophenyl)methylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide
CID 123995368
2-(4-benzylpiperazin-1-yl)-N-[(2-sulfanylphenyl)methylideneamino]acetamide
CID 137072839
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
CID 6868355
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide
CID 1383029
2-(4-benzylpiperazin-1-yl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6146827
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6866404

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide (CID 1386479) is N-[(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NN=Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is UTMRNFCBOBTQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrClN4O/c21-19-4-2-1-3-17(19)13-23-24-20(27)15-26-11-9-25(10-12-26)14-16-5-7-18(22)8-6-16/h1-8,13H,9-12,14-15H2,(H,24,27).
What are the key properties of N-[(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide?
N-[(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 449.78 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 1386479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).