5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide

C19H23BrN4O3 — CID 112832556

IUPAC5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCN1CCN(CCNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)CC1
InChIInChI=1S/C19H23BrN4O3/c1-23-9-11-24(12-10-23)8-7-21-18(25)14-3-2-4-15(13-14)22-19(26)16-5-6-17(20)27-16/h2-6,13H,7-12H2,1H3,(H,21,25)(H,22,26)
InChIKeyYCPVQJDZXZPFMF-UHFFFAOYSA-N
MW435.32 g/mol
LogP2.27
Rot. Bonds6

About 5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 112832556) has the molecular formula C19H23BrN4O3 and a molecular weight of 435.32 g/mol. Its IUPAC name is 5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID112832556
Molecular FormulaC19H23BrN4O3
Molecular Weight435.32 g/mol
Exact Mass434.10
IUPAC Name5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCN1CCN(CCNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)CC1
InChIInChI=1S/C19H23BrN4O3/c1-23-9-11-24(12-10-23)8-7-21-18(25)14-3-2-4-15(13-14)22-19(26)16-5-6-17(20)27-16/h2-6,13H,7-12H2,1H3,(H,21,25)(H,22,26)
InChIKeyYCPVQJDZXZPFMF-UHFFFAOYSA-N
XLogP2.27
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46329893
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CID 9323689
5-bromo-N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 78888913
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CID 55774997
5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide
CID 108765983
5-bromo-N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55770830
5-bromo-N-[3-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55775222
5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55771554
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CID 109053343
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 54861059
5-bromo-N-[3-(7-methyl-2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide (CID 112832556) is 5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide is CN1CCN(CCNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)CC1.
What is the InChIKey of 5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is YCPVQJDZXZPFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O3/c1-23-9-11-24(12-10-23)8-7-21-18(25)14-3-2-4-15(13-14)22-19(26)16-5-6-17(20)27-16/h2-6,13H,7-12H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 435.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 112832556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).