5-bromo-N-[4-[(2-morpholin-4-yl-1-phenylethyl)carbamoyl]phenyl]furan-2-carboxamide

C24H24BrN3O4 — CID 112834585

IUPAC5-bromo-N-[4-[(2-morpholin-4-yl-1-phenylethyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NC(CN1CCOCC1)c1ccccc1)c1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C24H24BrN3O4/c25-22-11-10-21(32-22)24(30)26-19-8-6-18(7-9-19)23(29)27-20(17-4-2-1-3-5-17)16-28-12-14-31-15-13-28/h1-11,20H,12-16H2,(H,26,30)(H,27,29)
InChIKeyQFIBGDUMOYJBHY-UHFFFAOYSA-N
MW498.38 g/mol
LogP4.10
Rot. Bonds7

About 5-bromo-N-[4-[(2-morpholin-4-yl-1-phenylethyl)carbamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[(2-morpholin-4-yl-1-phenylethyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 112834585) has the molecular formula C24H24BrN3O4 and a molecular weight of 498.38 g/mol. Its IUPAC name is 5-bromo-N-[4-[(2-morpholin-4-yl-1-phenylethyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(2-morpholin-4-yl-1-phenylethyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID112834585
Molecular FormulaC24H24BrN3O4
Molecular Weight498.38 g/mol
Exact Mass497.10
IUPAC Name5-bromo-N-[4-[(2-morpholin-4-yl-1-phenylethyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NC(CN1CCOCC1)c1ccccc1)c1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C24H24BrN3O4/c25-22-11-10-21(32-22)24(30)26-19-8-6-18(7-9-19)23(29)27-20(17-4-2-1-3-5-17)16-28-12-14-31-15-13-28/h1-11,20H,12-16H2,(H,26,30)(H,27,29)
InChIKeyQFIBGDUMOYJBHY-UHFFFAOYSA-N
XLogP4.10
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.38
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[4-[(2-morpholin-4-yl-1-phenylethyl)carbamoyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

4-acetamido-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166742
4-(benzenesulfonamido)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31429984
4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166767
4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149987
5-bromo-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]furan-2-carboxamide
CID 84559000
5-bromo-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyridine-3-carboxamide
CID 9148597
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31420109
4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485450
4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31397272
2-hydroxy-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 86918289

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(2-morpholin-4-yl-1-phenylethyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[(2-morpholin-4-yl-1-phenylethyl)carbamoyl]phenyl]furan-2-carboxamide (CID 112834585) is 5-bromo-N-[4-[(2-morpholin-4-yl-1-phenylethyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[(2-morpholin-4-yl-1-phenylethyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[(2-morpholin-4-yl-1-phenylethyl)carbamoyl]phenyl]furan-2-carboxamide is O=C(NC(CN1CCOCC1)c1ccccc1)c1ccc(NC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-[4-[(2-morpholin-4-yl-1-phenylethyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is QFIBGDUMOYJBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O4/c25-22-11-10-21(32-22)24(30)26-19-8-6-18(7-9-19)23(29)27-20(17-4-2-1-3-5-17)16-28-12-14-31-15-13-28/h1-11,20H,12-16H2,(H,26,30)(H,27,29).
What are the key properties of 5-bromo-N-[4-[(2-morpholin-4-yl-1-phenylethyl)carbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[(2-morpholin-4-yl-1-phenylethyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 498.38 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(2-morpholin-4-yl-1-phenylethyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 112834585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).