5-bromo-N-[4-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide

C23H22BrN3O4 — CID 55951161

IUPAC5-bromo-N-[4-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)Nc1cccc(N2CCOCC2)c1
InChIInChI=1S/C23H22BrN3O4/c24-21-9-8-20(31-21)23(29)26-17-6-4-16(5-7-17)14-22(28)25-18-2-1-3-19(15-18)27-10-12-30-13-11-27/h1-9,15H,10-14H2,(H,25,28)(H,26,29)
InChIKeyJOPLDIDYSNFIQF-UHFFFAOYSA-N
MW484.35 g/mol
LogP4.31
Rot. Bonds6

About 5-bromo-N-[4-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide (PubChem CID 55951161) has the molecular formula C23H22BrN3O4 and a molecular weight of 484.35 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide
PubChem CID55951161
Molecular FormulaC23H22BrN3O4
Molecular Weight484.35 g/mol
Exact Mass483.08
IUPAC Name5-bromo-N-[4-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)Nc1cccc(N2CCOCC2)c1
InChIInChI=1S/C23H22BrN3O4/c24-21-9-8-20(31-21)23(29)26-17-6-4-16(5-7-17)14-22(28)25-18-2-1-3-19(15-18)27-10-12-30-13-11-27/h1-9,15H,10-14H2,(H,25,28)(H,26,29)
InChIKeyJOPLDIDYSNFIQF-UHFFFAOYSA-N
XLogP4.31
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.35
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide
CID 87042458
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide
CID 47158335
3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362330
5-bromo-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)anilino]ethyl]phenyl]furan-2-carboxamide
CID 55851418
5-bromo-N-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide
CID 53164805
N-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide
CID 60511418
5-bromo-N-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 137370573
2-(5-methyl-1,2-oxazol-3-yl)-N-(3-morpholin-4-ylphenyl)acetamide
CID 110612975
3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
CID 86821869
3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylphenyl)propanamide
CID 71938578
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide (CID 55951161) is 5-bromo-N-[4-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide is O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)Nc1cccc(N2CCOCC2)c1.
What is the InChIKey of 5-bromo-N-[4-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide?
The InChIKey is JOPLDIDYSNFIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN3O4/c24-21-9-8-20(31-21)23(29)26-17-6-4-16(5-7-17)14-22(28)25-18-2-1-3-19(15-18)27-10-12-30-13-11-27/h1-9,15H,10-14H2,(H,25,28)(H,26,29).
What are the key properties of 5-bromo-N-[4-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide has a molecular weight of 484.35 g/mol, XLogP of 4.31, 6 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-(3-morpholin-4-ylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55951161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).