5-[(2-bromoacetyl)amino]-N-carbamoylfuran-2-carboxamide

C8H8BrN3O4 — CID 44576982

IUPAC5-[(2-bromoacetyl)amino]-N-carbamoylfuran-2-carboxamide
SMILESNC(=O)NC(=O)c1ccc(NC(=O)CBr)o1
InChIInChI=1S/C8H8BrN3O4/c9-3-5(13)11-6-2-1-4(16-6)7(14)12-8(10)15/h1-2H,3H2,(H,11,13)(H3,10,12,14,15)
InChIKeyDQBVRBZYWAUXPY-UHFFFAOYSA-N
MW290.07 g/mol
LogP0.42
Rot. Bonds3

About 5-[(2-bromoacetyl)amino]-N-carbamoylfuran-2-carboxamide

5-[(2-bromoacetyl)amino]-N-carbamoylfuran-2-carboxamide (PubChem CID 44576982) has the molecular formula C8H8BrN3O4 and a molecular weight of 290.07 g/mol. Its IUPAC name is 5-[(2-bromoacetyl)amino]-N-carbamoylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-bromoacetyl)amino]-N-carbamoylfuran-2-carboxamide
PubChem CID44576982
Molecular FormulaC8H8BrN3O4
Molecular Weight290.07 g/mol
Exact Mass288.97
IUPAC Name5-[(2-bromoacetyl)amino]-N-carbamoylfuran-2-carboxamide
SMILESNC(=O)NC(=O)c1ccc(NC(=O)CBr)o1
InChIInChI=1S/C8H8BrN3O4/c9-3-5(13)11-6-2-1-4(16-6)7(14)12-8(10)15/h1-2H,3H2,(H,11,13)(H3,10,12,14,15)
InChIKeyDQBVRBZYWAUXPY-UHFFFAOYSA-N
XLogP0.42
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.07
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Furancarboxamide, N-(aminocarbonyl)-5-nitro-
CID 205365
5-(2-bromopropanoylamino)-N-carbamoylfuran-2-carboxamide
CID 44576981
N-carbamoyl-5-[(2-chloroacetyl)amino]furan-2-carboxamide
CID 44577014
Ethyl 5-{[ethoxy(oxo)acetyl]amino}furan-2-carboxylate
CID 271569
Furyl furamide
CID 10702442
N-[5-(Azepane-1-carbonyl)furan-2-YL]acetamide
CID 53016004
5-amino-N-[(2E,4Z)-1-fluorohepta-2,4-dien-6-yn-2-yl]furan-2-carboxamide
CID 166994438
5-amino-N-(2-fluorophenyl)furan-2-carboxamide
CID 82344270
5-amino-N-(4-fluorophenyl)furan-2-carboxamide
CID 82344275
5-amino-N-(3-fluorophenyl)furan-2-carboxamide
CID 82344281
5-acetamido-N-(2-fluorophenyl)furan-2-carboxamide
CID 110699917
5-acetamido-N-(4-fluorophenyl)furan-2-carboxamide
CID 110699918

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromoacetyl)amino]-N-carbamoylfuran-2-carboxamide?
The IUPAC name of 5-[(2-bromoacetyl)amino]-N-carbamoylfuran-2-carboxamide (CID 44576982) is 5-[(2-bromoacetyl)amino]-N-carbamoylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2-bromoacetyl)amino]-N-carbamoylfuran-2-carboxamide?
The canonical SMILES for 5-[(2-bromoacetyl)amino]-N-carbamoylfuran-2-carboxamide is NC(=O)NC(=O)c1ccc(NC(=O)CBr)o1.
What is the InChIKey of 5-[(2-bromoacetyl)amino]-N-carbamoylfuran-2-carboxamide?
The InChIKey is DQBVRBZYWAUXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O4/c9-3-5(13)11-6-2-1-4(16-6)7(14)12-8(10)15/h1-2H,3H2,(H,11,13)(H3,10,12,14,15).
What are the key properties of 5-[(2-bromoacetyl)amino]-N-carbamoylfuran-2-carboxamide?
5-[(2-bromoacetyl)amino]-N-carbamoylfuran-2-carboxamide has a molecular weight of 290.07 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromoacetyl)amino]-N-carbamoylfuran-2-carboxamide is sourced from PubChem (CID 44576982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).