4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide

C20H23BrFN3O4 — CID 55784620

IUPAC4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)c1Br
InChIInChI=1S/C20H23BrFN3O4/c1-12-18(19(21)13(2)29-12)20(27)23-14-3-4-15(22)16(11-14)24-17(26)5-6-25-7-9-28-10-8-25/h3-4,11H,5-10H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyCODJMTMWWKUNAB-UHFFFAOYSA-N
MW468.32 g/mol
LogP3.71
Rot. Bonds6

About 4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide

4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 55784620) has the molecular formula C20H23BrFN3O4 and a molecular weight of 468.32 g/mol. Its IUPAC name is 4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID55784620
Molecular FormulaC20H23BrFN3O4
Molecular Weight468.32 g/mol
Exact Mass467.09
IUPAC Name4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)c1Br
InChIInChI=1S/C20H23BrFN3O4/c1-12-18(19(21)13(2)29-12)20(27)23-14-3-4-15(22)16(11-14)24-17(26)5-6-25-7-9-28-10-8-25/h3-4,11H,5-10H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyCODJMTMWWKUNAB-UHFFFAOYSA-N
XLogP3.71
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.32
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide
CID 119849282
N-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide
CID 55785751
(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide
CID 119849290
2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide
CID 60530456
(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119849257
5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide
CID 55784871
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 60554946
7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide
CID 55784588
1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 60554945
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
CID 55964556
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55784551

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of 4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide (CID 55784620) is 4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for 4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)c1Br.
What is the InChIKey of 4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is CODJMTMWWKUNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrFN3O4/c1-12-18(19(21)13(2)29-12)20(27)23-14-3-4-15(22)16(11-14)24-17(26)5-6-25-7-9-28-10-8-25/h3-4,11H,5-10H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide?
4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 468.32 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 55784620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).