N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide

C16H18ClN3O2 — CID 2995824

IUPACN-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1
InChIInChI=1S/C16H18ClN3O2/c1-19-6-8-20(9-7-19)14-5-4-12(11-13(14)17)18-16(21)15-3-2-10-22-15/h2-5,10-11H,6-9H2,1H3,(H,18,21)
InChIKeyYEKUEWYAUGTLEF-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.94
Rot. Bonds3

About N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide

N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 2995824) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
PubChem CID2995824
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1
InChIInChI=1S/C16H18ClN3O2/c1-19-6-8-20(9-7-19)14-5-4-12(11-13(14)17)18-16(21)15-3-2-10-22-15/h2-5,10-11H,6-9H2,1H3,(H,18,21)
InChIKeyYEKUEWYAUGTLEF-UHFFFAOYSA-N
XLogP2.94
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)furan-2-carboxamide
CID 790315
ML348
CID 3238952
5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide
CID 44224261
N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 308065
N-[4-(diethylamino)phenyl]-2-furancarboxamide
CID 675057
N-(3-chlorophenyl)furan-2-carboxamide
CID 282652
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromofuran-2-carboxamide
CID 17027307
5-bromo-N-[3-chloro-2-(4-ethyl-1-piperazinyl)phenyl]-2-furamide
CID 979869
propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate
CID 140430650
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 10735128
1-(2-Furoyl)-4-(2-methoxyphenyl)piperazine
CID 595810
N-{3-chloro-4-[4-(2-furoyl)-1-piperazinyl]phenyl}-2,3,4,5,6-pentafluorobenzamide
CID 2162197

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide (CID 2995824) is N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide is CN1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1.
What is the InChIKey of N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is YEKUEWYAUGTLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-19-6-8-20(9-7-19)14-5-4-12(11-13(14)17)18-16(21)15-3-2-10-22-15/h2-5,10-11H,6-9H2,1H3,(H,18,21).
What are the key properties of N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 2995824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).