N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide

C18H22ClN5O2 — CID 111042840

IUPACN-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide
SMILESN/C(=N\CCNC(=O)c1ccco1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H22ClN5O2/c19-14-3-5-15(6-4-14)23-9-11-24(12-10-23)18(20)22-8-7-21-17(25)16-2-1-13-26-16/h1-6,13H,7-12H2,(H2,20,22)(H,21,25)
InChIKeyMNAUDIGQHYNXSK-UHFFFAOYSA-N
MW375.86 g/mol
LogP1.80
Rot. Bonds5

About N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide

N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide (PubChem CID 111042840) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide
PubChem CID111042840
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC NameN-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide
SMILESN/C(=N\CCNC(=O)c1ccco1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H22ClN5O2/c19-14-3-5-15(6-4-14)23-9-11-24(12-10-23)18(20)22-8-7-21-17(25)16-2-1-13-26-16/h1-6,13H,7-12H2,(H2,20,22)(H,21,25)
InChIKeyMNAUDIGQHYNXSK-UHFFFAOYSA-N
XLogP1.80
TPSA87.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide
CID 111075700
N-[2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide
CID 111042852
N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111030905
2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037054
N'-(2-benzylsulfinylethyl)-4-(4-chlorophenyl)piperazine-1-carboximidamide
CID 111807772
2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-ethylacetamide
CID 111032106
4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110911931
4-(4-chlorophenyl)-N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111027583
4-(4-chlorophenyl)-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide
CID 119118862
4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111046626
N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide
CID 119147787
4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide
CID 119146625

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide (CID 111042840) is N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide is N/C(=N\CCNC(=O)c1ccco1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide?
The InChIKey is MNAUDIGQHYNXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c19-14-3-5-15(6-4-14)23-9-11-24(12-10-23)18(20)22-8-7-21-17(25)16-2-1-13-26-16/h1-6,13H,7-12H2,(H2,20,22)(H,21,25).
What are the key properties of N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide?
N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 111042840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).