[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone

C16H13Cl2FN2O3 — CID 32532621

IUPAC[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1
InChIInChI=1S/C16H13Cl2FN2O3/c17-12-8-13(18)14(19)7-11(12)16(23)21-4-2-20(3-5-21)15(22)10-1-6-24-9-10/h1,6-9H,2-5H2
InChIKeySYLVARATPJWVID-UHFFFAOYSA-N
MW371.20 g/mol
LogP3.32
Rot. Bonds2

About [4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone

[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone (PubChem CID 32532621) has the molecular formula C16H13Cl2FN2O3 and a molecular weight of 371.20 g/mol. Its IUPAC name is [4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone
PubChem CID32532621
Molecular FormulaC16H13Cl2FN2O3
Molecular Weight371.20 g/mol
Exact Mass370.03
IUPAC Name[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1
InChIInChI=1S/C16H13Cl2FN2O3/c17-12-8-13(18)14(19)7-11(12)16(23)21-4-2-20(3-5-21)15(22)10-1-6-24-9-10/h1,6-9H,2-5H2
InChIKeySYLVARATPJWVID-UHFFFAOYSA-N
XLogP3.32
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.20
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
CID 32530613
(2,4-dichloro-5-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43393315
[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone
CID 32530577
[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 52719292
(2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 875976
(4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 82772045
[4-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 33017158
2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone
CID 32528222
[4-(2-chloro-4,5-difluorobenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 34477784
(2,5-difluorophenyl)-[1-(furan-3-carbonyl)piperidin-4-yl]methanone
CID 51082686
[4-(2,6-dichloro-4-nitrophenyl)piperazin-1-yl]-(furan-3-yl)methanone
CID 133443241
[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(furan-3-yl)methanone
CID 27020023

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone (CID 32532621) is [4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1.
What is the InChIKey of [4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone?
The InChIKey is SYLVARATPJWVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2O3/c17-12-8-13(18)14(19)7-11(12)16(23)21-4-2-20(3-5-21)15(22)10-1-6-24-9-10/h1,6-9H,2-5H2.
What are the key properties of [4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone?
[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone has a molecular weight of 371.20 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 32532621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).