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

C17H18ClN3O3 — CID 2993823

IUPACN-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1
InChIInChI=1S/C17H18ClN3O3/c1-12(22)20-6-8-21(9-7-20)15-5-4-13(11-14(15)18)19-17(23)16-3-2-10-24-16/h2-5,10-11H,6-9H2,1H3,(H,19,23)
InChIKeyMEACCDYDYGCTLV-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.85
Rot. Bonds3

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

N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide (PubChem CID 2993823) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
PubChem CID2993823
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1
InChIInChI=1S/C17H18ClN3O3/c1-12(22)20-6-8-21(9-7-20)15-5-4-13(11-14(15)18)19-17(23)16-3-2-10-24-16/h2-5,10-11H,6-9H2,1H3,(H,19,23)
InChIKeyMEACCDYDYGCTLV-UHFFFAOYSA-N
XLogP2.85
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.85
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-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 3161475
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
CID 1092657
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
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]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 17118200
N-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 86830485
5-chloro-N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-methoxybenzamide
CID 17118184
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17111808
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17118198
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42671906
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42678369

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide (CID 2993823) is N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide is CC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide?
The InChIKey is MEACCDYDYGCTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-12(22)20-6-8-21(9-7-20)15-5-4-13(11-14(15)18)19-17(23)16-3-2-10-24-16/h2-5,10-11H,6-9H2,1H3,(H,19,23).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide?
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide has a molecular weight of 347.80 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide is sourced from PubChem (CID 2993823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).