2-chloro-6-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]benzamide

C18H19ClFN3O3 — CID 110397684

IUPAC2-chloro-6-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(C(=O)c2ccco2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C18H19ClFN3O3/c19-13-3-1-4-14(20)16(13)17(24)21-6-7-22-8-10-23(11-9-22)18(25)15-5-2-12-26-15/h1-5,12H,6-11H2,(H,21,24)
InChIKeyAWKJXDXYGQZPFI-UHFFFAOYSA-N
MW379.82 g/mol
LogP2.26
Rot. Bonds5

About 2-chloro-6-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]benzamide

2-chloro-6-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 110397684) has the molecular formula C18H19ClFN3O3 and a molecular weight of 379.82 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]benzamide
PubChem CID110397684
Molecular FormulaC18H19ClFN3O3
Molecular Weight379.82 g/mol
Exact Mass379.11
IUPAC Name2-chloro-6-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(C(=O)c2ccco2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C18H19ClFN3O3/c19-13-3-1-4-14(20)16(13)17(24)21-6-7-22-8-10-23(11-9-22)18(25)15-5-2-12-26-15/h1-5,12H,6-11H2,(H,21,24)
InChIKeyAWKJXDXYGQZPFI-UHFFFAOYSA-N
XLogP2.26
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide
CID 110397647
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42859131
(2-chloro-6-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 17249437
N-[2-(2-fluorophenyl)ethyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109024662
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide
CID 110397663
1-(4-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]methanesulfonamide
CID 110397730
2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3455522
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
1-[4-(2-aminoethyl)piperazin-1-yl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 108518065
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 78789988

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]benzamide (CID 110397684) is 2-chloro-6-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]benzamide is O=C(NCCN1CCN(C(=O)c2ccco2)CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is AWKJXDXYGQZPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O3/c19-13-3-1-4-14(20)16(13)17(24)21-6-7-22-8-10-23(11-9-22)18(25)15-5-2-12-26-15/h1-5,12H,6-11H2,(H,21,24).
What are the key properties of 2-chloro-6-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]benzamide?
2-chloro-6-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 379.82 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 110397684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).