N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromofuran-2-carboxamide

C22H20BrN3O3 — CID 1288270

IUPACN-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromofuran-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc(Br)o1
InChIInChI=1S/C22H20BrN3O3/c23-20-11-10-19(29-20)21(27)24-17-8-4-5-9-18(17)25-12-14-26(15-13-25)22(28)16-6-2-1-3-7-16/h1-11H,12-15H2,(H,24,27)
InChIKeyNPBZKZQBGBBPAU-UHFFFAOYSA-N
MW454.32 g/mol
LogP4.26
Rot. Bonds4

About N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromofuran-2-carboxamide

N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromofuran-2-carboxamide (PubChem CID 1288270) has the molecular formula C22H20BrN3O3 and a molecular weight of 454.32 g/mol. Its IUPAC name is N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromofuran-2-carboxamide
PubChem CID1288270
Molecular FormulaC22H20BrN3O3
Molecular Weight454.32 g/mol
Exact Mass453.07
IUPAC NameN-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromofuran-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc(Br)o1
InChIInChI=1S/C22H20BrN3O3/c23-20-11-10-19(29-20)21(27)24-17-8-4-5-9-18(17)25-12-14-26(15-13-25)22(28)16-6-2-1-3-7-16/h1-11H,12-15H2,(H,24,27)
InChIKeyNPBZKZQBGBBPAU-UHFFFAOYSA-N
XLogP4.26
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.32
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 17319178
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17117874
5-bromo-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 17066185
5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide
CID 30495584
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 2237334
methyl 4-(4-benzoylpiperazin-1-yl)-3-[[5-(4-bromophenyl)furan-2-carbonyl]amino]benzoate
CID 17092159
N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 55972451
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-ethylbenzamide
CID 2199021
N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide
CID 17199012
N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17317422
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-butoxybenzamide
CID 3410085
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-4-butoxybenzamide
CID 17388059

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromofuran-2-carboxamide (CID 1288270) is N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromofuran-2-carboxamide is O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc(Br)o1.
What is the InChIKey of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromofuran-2-carboxamide?
The InChIKey is NPBZKZQBGBBPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O3/c23-20-11-10-19(29-20)21(27)24-17-8-4-5-9-18(17)25-12-14-26(15-13-25)22(28)16-6-2-1-3-7-16/h1-11H,12-15H2,(H,24,27).
What are the key properties of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromofuran-2-carboxamide?
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromofuran-2-carboxamide has a molecular weight of 454.32 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 1288270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).