5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide

C17H17BrFN3O3 — CID 7494653

IUPAC5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Br)o1
InChIInChI=1S/C17H17BrFN3O3/c18-15-6-5-14(25-15)17(24)20-11-16(23)22-9-7-21(8-10-22)13-3-1-12(19)2-4-13/h1-6H,7-11H2,(H,20,24)
InChIKeyOEZKYWQESGULLP-UHFFFAOYSA-N
MW410.24 g/mol
LogP2.26
Rot. Bonds4

About 5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 7494653) has the molecular formula C17H17BrFN3O3 and a molecular weight of 410.24 g/mol. Its IUPAC name is 5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
PubChem CID7494653
Molecular FormulaC17H17BrFN3O3
Molecular Weight410.24 g/mol
Exact Mass409.04
IUPAC Name5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Br)o1
InChIInChI=1S/C17H17BrFN3O3/c18-15-6-5-14(25-15)17(24)20-11-16(23)22-9-7-21(8-10-22)13-3-1-12(19)2-4-13/h1-6H,7-11H2,(H,20,24)
InChIKeyOEZKYWQESGULLP-UHFFFAOYSA-N
XLogP2.26
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9081763
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 9081569
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 56502503
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9081766
3-bromo-N-[2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 87042205
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18107439
4-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 1006492
methyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate
CID 51166514
2-[(4-chlorophenyl)methylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 108998099
4-fluoro-N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 58462406
ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone
CID 142843333
5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 51161739

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide (CID 7494653) is 5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is OEZKYWQESGULLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN3O3/c18-15-6-5-14(25-15)17(24)20-11-16(23)22-9-7-21(8-10-22)13-3-1-12(19)2-4-13/h1-6H,7-11H2,(H,20,24).
What are the key properties of 5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 410.24 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 7494653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).