2-[4-(2-bromo-4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide

C13H16BrClN4O2 — CID 107992491

IUPAC2-[4-(2-bromo-4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESN/C(CN1CCN(C(=O)c2ccc(Cl)cc2Br)CC1)=N/O
InChIInChI=1S/C13H16BrClN4O2/c14-11-7-9(15)1-2-10(11)13(20)19-5-3-18(4-6-19)8-12(16)17-21/h1-2,7,21H,3-6,8H2,(H2,16,17)
InChIKeyQYDIISMNLAWHQY-UHFFFAOYSA-N
MW375.65 g/mol
LogP1.61
Rot. Bonds3

About 2-[4-(2-bromo-4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide

2-[4-(2-bromo-4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 107992491) has the molecular formula C13H16BrClN4O2 and a molecular weight of 375.65 g/mol. Its IUPAC name is 2-[4-(2-bromo-4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-(2-bromo-4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
PubChem CID107992491
Molecular FormulaC13H16BrClN4O2
Molecular Weight375.65 g/mol
Exact Mass374.01
IUPAC Name2-[4-(2-bromo-4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESN/C(CN1CCN(C(=O)c2ccc(Cl)cc2Br)CC1)=N/O
InChIInChI=1S/C13H16BrClN4O2/c14-11-7-9(15)1-2-10(11)13(20)19-5-3-18(4-6-19)8-12(16)17-21/h1-2,7,21H,3-6,8H2,(H2,16,17)
InChIKeyQYDIISMNLAWHQY-UHFFFAOYSA-N
XLogP1.61
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.65
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77012051
(2-bromo-4-chlorophenyl)-[4-(2-bromoethyl)piperazin-1-yl]methanone
CID 114025204
1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107992513
2-[4-(2,5-difluorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011940
2-[4-(5-bromo-2-methylbenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77064947
2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 106855786
N'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide
CID 107672471
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011840
6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone
CID 167530261
2-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 107016252
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011992
(3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone
CID 107990480

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromo-4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-(2-bromo-4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide (CID 107992491) is 2-[4-(2-bromo-4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-(2-bromo-4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-(2-bromo-4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide is N/C(CN1CCN(C(=O)c2ccc(Cl)cc2Br)CC1)=N/O.
What is the InChIKey of 2-[4-(2-bromo-4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is QYDIISMNLAWHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN4O2/c14-11-7-9(15)1-2-10(11)13(20)19-5-3-18(4-6-19)8-12(16)17-21/h1-2,7,21H,3-6,8H2,(H2,16,17).
What are the key properties of 2-[4-(2-bromo-4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
2-[4-(2-bromo-4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 375.65 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromo-4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 107992491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).