N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide

C22H20FN3O3 — CID 6460180

IUPACN-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1)c1ccco1
InChIInChI=1S/C22H20FN3O3/c23-17-7-2-4-9-19(17)25-11-13-26(14-12-25)22(28)16-6-1-3-8-18(16)24-21(27)20-10-5-15-29-20/h1-10,15H,11-14H2,(H,24,27)
InChIKeyYVNNCMVJYMNYGY-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.63
Rot. Bonds4

About N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide

N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide (PubChem CID 6460180) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
PubChem CID6460180
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1)c1ccco1
InChIInChI=1S/C22H20FN3O3/c23-17-7-2-4-9-19(17)25-11-13-26(14-12-25)22(28)16-6-1-3-8-18(16)24-21(27)20-10-5-15-29-20/h1-10,15H,11-14H2,(H,24,27)
InChIKeyYVNNCMVJYMNYGY-UHFFFAOYSA-N
XLogP3.63
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]furan-2-carboxamide
CID 90515113
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 2237334
N-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 24546026
N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]furan-2-carboxamide
CID 113043760
2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 4309952
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3648748
N-[3-[[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111148340
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 3161475
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42671906
3-chloro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 1456391
[2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 78814549

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide (CID 6460180) is N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide is O=C(Nc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1)c1ccco1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
The InChIKey is YVNNCMVJYMNYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c23-17-7-2-4-9-19(17)25-11-13-26(14-12-25)22(28)16-6-1-3-8-18(16)24-21(27)20-10-5-15-29-20/h1-10,15H,11-14H2,(H,24,27).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 6460180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).