5-(2-bromopropanoylamino)-N-carbamoylfuran-2-carboxamide

C9H10BrN3O4 — CID 44576981

IUPAC5-(2-bromopropanoylamino)-N-carbamoylfuran-2-carboxamide
SMILESCC(Br)C(=O)Nc1ccc(C(=O)NC(N)=O)o1
InChIInChI=1S/C9H10BrN3O4/c1-4(10)7(14)12-6-3-2-5(17-6)8(15)13-9(11)16/h2-4H,1H3,(H,12,14)(H3,11,13,15,16)
InChIKeyRVFQKNJMARBNLV-UHFFFAOYSA-N
MW304.10 g/mol
LogP0.81
Rot. Bonds3

About 5-(2-bromopropanoylamino)-N-carbamoylfuran-2-carboxamide

5-(2-bromopropanoylamino)-N-carbamoylfuran-2-carboxamide (PubChem CID 44576981) has the molecular formula C9H10BrN3O4 and a molecular weight of 304.10 g/mol. Its IUPAC name is 5-(2-bromopropanoylamino)-N-carbamoylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(2-bromopropanoylamino)-N-carbamoylfuran-2-carboxamide
PubChem CID44576981
Molecular FormulaC9H10BrN3O4
Molecular Weight304.10 g/mol
Exact Mass302.99
IUPAC Name5-(2-bromopropanoylamino)-N-carbamoylfuran-2-carboxamide
SMILESCC(Br)C(=O)Nc1ccc(C(=O)NC(N)=O)o1
InChIInChI=1S/C9H10BrN3O4/c1-4(10)7(14)12-6-3-2-5(17-6)8(15)13-9(11)16/h2-4H,1H3,(H,12,14)(H3,11,13,15,16)
InChIKeyRVFQKNJMARBNLV-UHFFFAOYSA-N
XLogP0.81
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.10
LogP ≤ 50.81
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-bromoacetyl)amino]-N-carbamoylfuran-2-carboxamide
CID 44576982
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-acetamido-N-(2-fluorophenyl)furan-2-carboxamide
CID 110699917
5-acetamido-N-(4-fluorophenyl)furan-2-carboxamide
CID 110699918
5-acetamido-N-(3-fluorophenyl)furan-2-carboxamide
CID 110699969
5-acetamido-N-(2,4-difluorophenyl)furan-2-carboxamide
CID 110699979
5-acetamido-N-(2,3,4-trifluorophenyl)furan-2-carboxamide
CID 110700005
5-acetamido-N-(2,6-difluorophenyl)furan-2-carboxamide
CID 110700006

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromopropanoylamino)-N-carbamoylfuran-2-carboxamide?
The IUPAC name of 5-(2-bromopropanoylamino)-N-carbamoylfuran-2-carboxamide (CID 44576981) is 5-(2-bromopropanoylamino)-N-carbamoylfuran-2-carboxamide.
What is the SMILES notation for 5-(2-bromopropanoylamino)-N-carbamoylfuran-2-carboxamide?
The canonical SMILES for 5-(2-bromopropanoylamino)-N-carbamoylfuran-2-carboxamide is CC(Br)C(=O)Nc1ccc(C(=O)NC(N)=O)o1.
What is the InChIKey of 5-(2-bromopropanoylamino)-N-carbamoylfuran-2-carboxamide?
The InChIKey is RVFQKNJMARBNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O4/c1-4(10)7(14)12-6-3-2-5(17-6)8(15)13-9(11)16/h2-4H,1H3,(H,12,14)(H3,11,13,15,16).
What are the key properties of 5-(2-bromopropanoylamino)-N-carbamoylfuran-2-carboxamide?
5-(2-bromopropanoylamino)-N-carbamoylfuran-2-carboxamide has a molecular weight of 304.10 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromopropanoylamino)-N-carbamoylfuran-2-carboxamide is sourced from PubChem (CID 44576981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).