5-bromo-N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]furan-2-carboxamide

C18H17BrN4O5 — CID 24549185

IUPAC5-bromo-N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCCC1(c2ccccc2)NC(=O)N(NC(=O)CNC(=O)c2ccc(Br)o2)C1=O
InChIInChI=1S/C18H17BrN4O5/c1-2-18(11-6-4-3-5-7-11)16(26)23(17(27)21-18)22-14(24)10-20-15(25)12-8-9-13(19)28-12/h3-9H,2,10H2,1H3,(H,20,25)(H,21,27)(H,22,24)
InChIKeyGHJPNPUWKMJKIO-UHFFFAOYSA-N
MW449.26 g/mol
LogP1.66
Rot. Bonds6

About 5-bromo-N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 24549185) has the molecular formula C18H17BrN4O5 and a molecular weight of 449.26 g/mol. Its IUPAC name is 5-bromo-N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID24549185
Molecular FormulaC18H17BrN4O5
Molecular Weight449.26 g/mol
Exact Mass448.04
IUPAC Name5-bromo-N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCCC1(c2ccccc2)NC(=O)N(NC(=O)CNC(=O)c2ccc(Br)o2)C1=O
InChIInChI=1S/C18H17BrN4O5/c1-2-18(11-6-4-3-5-7-11)16(26)23(17(27)21-18)22-14(24)10-20-15(25)12-8-9-13(19)28-12/h3-9H,2,10H2,1H3,(H,20,25)(H,21,27)(H,22,24)
InChIKeyGHJPNPUWKMJKIO-UHFFFAOYSA-N
XLogP1.66
TPSA120.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.26
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 24549178
benzyl-ethyl-[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8564244
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8922680
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-thiophen-2-ylacetamide
CID 9293561
5-bromo-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 9204983
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-phenoxybenzamide
CID 9293579
3-cyclopentyl-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide
CID 9293678
2-(4-acetylpiperazin-1-yl)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 43012938
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 43013055
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(4-fluorophenoxy)acetamide
CID 9012529
[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 2-ethoxyacetate
CID 9289684
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 45354834

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]furan-2-carboxamide (CID 24549185) is 5-bromo-N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]furan-2-carboxamide is CCC1(c2ccccc2)NC(=O)N(NC(=O)CNC(=O)c2ccc(Br)o2)C1=O.
What is the InChIKey of 5-bromo-N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is GHJPNPUWKMJKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O5/c1-2-18(11-6-4-3-5-7-11)16(26)23(17(27)21-18)22-14(24)10-20-15(25)12-8-9-13(19)28-12/h3-9H,2,10H2,1H3,(H,20,25)(H,21,27)(H,22,24).
What are the key properties of 5-bromo-N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 449.26 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 24549185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).