5-bromo-N-[3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide

C24H23BrN2O4 — CID 55774560

IUPAC5-bromo-N-[3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC(C(O)c3ccccc3)CC2)c1)c1ccc(Br)o1
InChIInChI=1S/C24H23BrN2O4/c25-21-10-9-20(31-21)23(29)26-19-8-4-7-18(15-19)24(30)27-13-11-17(12-14-27)22(28)16-5-2-1-3-6-16/h1-10,15,17,22,28H,11-14H2,(H,26,29)
InChIKeyKZLYFZFMVOYFEA-UHFFFAOYSA-N
MW483.36 g/mol
LogP4.88
Rot. Bonds5

About 5-bromo-N-[3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide

5-bromo-N-[3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide (PubChem CID 55774560) has the molecular formula C24H23BrN2O4 and a molecular weight of 483.36 g/mol. Its IUPAC name is 5-bromo-N-[3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide
PubChem CID55774560
Molecular FormulaC24H23BrN2O4
Molecular Weight483.36 g/mol
Exact Mass482.08
IUPAC Name5-bromo-N-[3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC(C(O)c3ccccc3)CC2)c1)c1ccc(Br)o1
InChIInChI=1S/C24H23BrN2O4/c25-21-10-9-20(31-21)23(29)26-19-8-4-7-18(15-19)24(30)27-13-11-17(12-14-27)22(28)16-5-2-1-3-6-16/h1-10,15,17,22,28H,11-14H2,(H,26,29)
InChIKeyKZLYFZFMVOYFEA-UHFFFAOYSA-N
XLogP4.88
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.36
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[3-(thiomorpholine-4-carbonyl)phenyl]furan-2-carboxamide
CID 55868816
5-bromo-N-[3-(4-cyanopiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 49061820
5-bromo-N-[3-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55775222
5-bromo-N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 78888913
N-[3-[4-(1-amino-1-oxopropan-2-yl)piperazine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide
CID 86955154
N-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide
CID 55773981
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
N-[4-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]acetamide
CID 134023910
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
4-[(S)-hydroxy(phenyl)methyl]-N-phenylpiperidine-1-carboxamide
CID 51547304
5-bromo-N-[3-[[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 60610299
2-cyclopropyl-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 110420849

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide (CID 55774560) is 5-bromo-N-[3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide is O=C(Nc1cccc(C(=O)N2CCC(C(O)c3ccccc3)CC2)c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
The InChIKey is KZLYFZFMVOYFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O4/c25-21-10-9-20(31-21)23(29)26-19-8-4-7-18(15-19)24(30)27-13-11-17(12-14-27)22(28)16-5-2-1-3-6-16/h1-10,15,17,22,28H,11-14H2,(H,26,29).
What are the key properties of 5-bromo-N-[3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide has a molecular weight of 483.36 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55774560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).