N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide

C19H22ClN3O3 — CID 1092657

IUPACN-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
SMILESCCCC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1
InChIInChI=1S/C19H22ClN3O3/c1-2-4-18(24)23-10-8-22(9-11-23)16-7-6-14(13-15(16)20)21-19(25)17-5-3-12-26-17/h3,5-7,12-13H,2,4,8-11H2,1H3,(H,21,25)
InChIKeyQFTUGJBHIVLCCX-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.63
Rot. Bonds5

About N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide

N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide (PubChem CID 1092657) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
PubChem CID1092657
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC NameN-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
SMILESCCCC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1
InChIInChI=1S/C19H22ClN3O3/c1-2-4-18(24)23-10-8-22(9-11-23)16-7-6-14(13-15(16)20)21-19(25)17-5-3-12-26-17/h3,5-7,12-13H,2,4,8-11H2,1H3,(H,21,25)
InChIKeyQFTUGJBHIVLCCX-UHFFFAOYSA-N
XLogP3.63
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
CID 2993823
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 3161475
N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide
CID 6957201
N-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 122182201
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-4-ethylbenzamide
CID 4569965
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17117990
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-methoxybenzamide
CID 3161538
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-chloropyridine-3-carboxamide
CID 5185889
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 17118200
3,4-dichloro-N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 17118164
N-[[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide
CID 17110148
N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]butanamide
CID 22775746

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide (CID 1092657) is N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide is CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1.
What is the InChIKey of N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide?
The InChIKey is QFTUGJBHIVLCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-2-4-18(24)23-10-8-22(9-11-23)16-7-6-14(13-15(16)20)21-19(25)17-5-3-12-26-17/h3,5-7,12-13H,2,4,8-11H2,1H3,(H,21,25).
What are the key properties of N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide?
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide is sourced from PubChem (CID 1092657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).