2-[[1-amino-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethylidene]amino]benzamide

C20H24ClN5O — CID 167097172

IUPAC2-[[1-amino-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethylidene]amino]benzamide
SMILESNC(=O)c1ccccc1/N=C(\N)CN1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H24ClN5O/c21-16-7-5-15(6-8-16)13-25-9-11-26(12-10-25)14-19(22)24-18-4-2-1-3-17(18)20(23)27/h1-8H,9-14H2,(H2,22,24)(H2,23,27)
InChIKeyQQWLPCZTPOYAGA-UHFFFAOYSA-N
MW385.90 g/mol
LogP2.25
Rot. Bonds6

About 2-[[1-amino-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethylidene]amino]benzamide

2-[[1-amino-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethylidene]amino]benzamide (PubChem CID 167097172) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 2-[[1-amino-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethylidene]amino]benzamide.

Molecular Properties

Compound Name2-[[1-amino-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethylidene]amino]benzamide
PubChem CID167097172
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name2-[[1-amino-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethylidene]amino]benzamide
SMILESNC(=O)c1ccccc1/N=C(\N)CN1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H24ClN5O/c21-16-7-5-15(6-8-16)13-25-9-11-26(12-10-25)14-19(22)24-18-4-2-1-3-17(18)20(23)27/h1-8H,9-14H2,(H2,22,24)(H2,23,27)
InChIKeyQQWLPCZTPOYAGA-UHFFFAOYSA-N
XLogP2.25
TPSA87.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 52.25
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'}

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Related Compounds

(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diphenylacetamide
CID 143117973
2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 55511052
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 8693460
2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011934
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 6467730
1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperazine;oxalic acid
CID 2874542
4-[[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]methyl]benzamide
CID 34708303
N-[(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 1386479
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-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
CID 6868355

Frequently Asked Questions

What is the IUPAC name of 2-[[1-amino-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethylidene]amino]benzamide?
The IUPAC name of 2-[[1-amino-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethylidene]amino]benzamide (CID 167097172) is 2-[[1-amino-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethylidene]amino]benzamide.
What is the SMILES notation for 2-[[1-amino-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethylidene]amino]benzamide?
The canonical SMILES for 2-[[1-amino-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethylidene]amino]benzamide is NC(=O)c1ccccc1/N=C(\N)CN1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[[1-amino-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethylidene]amino]benzamide?
The InChIKey is QQWLPCZTPOYAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O/c21-16-7-5-15(6-8-16)13-25-9-11-26(12-10-25)14-19(22)24-18-4-2-1-3-17(18)20(23)27/h1-8H,9-14H2,(H2,22,24)(H2,23,27).
What are the key properties of 2-[[1-amino-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethylidene]amino]benzamide?
2-[[1-amino-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethylidene]amino]benzamide has a molecular weight of 385.90 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-amino-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethylidene]amino]benzamide is sourced from PubChem (CID 167097172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).