5-bromo-N-[4-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide

C17H19BrN2O4 — CID 78896961

IUPAC5-bromo-N-[4-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCCN(CCO)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C17H19BrN2O4/c1-2-20(9-10-21)16(22)11-12-3-5-13(6-4-12)19-17(23)14-7-8-15(18)24-14/h3-8,21H,2,9-11H2,1H3,(H,19,23)
InChIKeyKMNFXNXXUDMJPZ-UHFFFAOYSA-N
MW395.25 g/mol
LogP2.68
Rot. Bonds7

About 5-bromo-N-[4-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide (PubChem CID 78896961) has the molecular formula C17H19BrN2O4 and a molecular weight of 395.25 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
PubChem CID78896961
Molecular FormulaC17H19BrN2O4
Molecular Weight395.25 g/mol
Exact Mass394.05
IUPAC Name5-bromo-N-[4-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCCN(CCO)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C17H19BrN2O4/c1-2-20(9-10-21)16(22)11-12-3-5-13(6-4-12)19-17(23)14-7-8-15(18)24-14/h3-8,21H,2,9-11H2,1H3,(H,19,23)
InChIKeyKMNFXNXXUDMJPZ-UHFFFAOYSA-N
XLogP2.68
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
5-bromo-N-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 60543526
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304
N-[4-[2-[3-[[acetyl(ethyl)amino]methyl]anilino]-2-oxoethyl]phenyl]-5-bromofuran-2-carboxamide
CID 60511418
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide
CID 106685549
3-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-ethylamino]propanoic acid
CID 61007116
ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 703718
5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 112834235
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
CID 3111249
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55791104

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide (CID 78896961) is 5-bromo-N-[4-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide is CCN(CCO)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-[4-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The InChIKey is KMNFXNXXUDMJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4/c1-2-20(9-10-21)16(22)11-12-3-5-13(6-4-12)19-17(23)14-7-8-15(18)24-14/h3-8,21H,2,9-11H2,1H3,(H,19,23).
What are the key properties of 5-bromo-N-[4-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide has a molecular weight of 395.25 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 78896961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).