N-carbamoyl-5-[(2-chloroacetyl)amino]furan-2-carboxamide

C8H8ClN3O4 — CID 44577014

IUPACN-carbamoyl-5-[(2-chloroacetyl)amino]furan-2-carboxamide
SMILESNC(=O)NC(=O)c1ccc(NC(=O)CCl)o1
InChIInChI=1S/C8H8ClN3O4/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)
InChIKeyURRFLIRRJCGGFM-UHFFFAOYSA-N
MW245.62 g/mol
LogP0.27
Rot. Bonds3

About N-carbamoyl-5-[(2-chloroacetyl)amino]furan-2-carboxamide

N-carbamoyl-5-[(2-chloroacetyl)amino]furan-2-carboxamide (PubChem CID 44577014) has the molecular formula C8H8ClN3O4 and a molecular weight of 245.62 g/mol. Its IUPAC name is N-carbamoyl-5-[(2-chloroacetyl)amino]furan-2-carboxamide.

Molecular Properties

Compound NameN-carbamoyl-5-[(2-chloroacetyl)amino]furan-2-carboxamide
PubChem CID44577014
Molecular FormulaC8H8ClN3O4
Molecular Weight245.62 g/mol
Exact Mass245.02
IUPAC NameN-carbamoyl-5-[(2-chloroacetyl)amino]furan-2-carboxamide
SMILESNC(=O)NC(=O)c1ccc(NC(=O)CCl)o1
InChIInChI=1S/C8H8ClN3O4/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)
InChIKeyURRFLIRRJCGGFM-UHFFFAOYSA-N
XLogP0.27
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.62
LogP ≤ 50.27
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
5-[(2-bromoacetyl)amino]-N-carbamoylfuran-2-carboxamide
CID 44576982
Methyl 5-(2-chloroacetamido)-2-furoate
CID 2777680
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
2-Furancarboxamide, 5-amino-N-phenyl-
CID 11287136
N,N-Dimethyl-5-(methylamino)furan-2-carboxamide
CID 45119710
5-amino-N-[(dimethylamino)methyl]furan-2-carboxamide
CID 69060619
5-acetamido-N-(4-acetamidophenyl)furan-2-carboxamide
CID 110699951
N-[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]acetamide
CID 53015999

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-5-[(2-chloroacetyl)amino]furan-2-carboxamide?
The IUPAC name of N-carbamoyl-5-[(2-chloroacetyl)amino]furan-2-carboxamide (CID 44577014) is N-carbamoyl-5-[(2-chloroacetyl)amino]furan-2-carboxamide.
What is the SMILES notation for N-carbamoyl-5-[(2-chloroacetyl)amino]furan-2-carboxamide?
The canonical SMILES for N-carbamoyl-5-[(2-chloroacetyl)amino]furan-2-carboxamide is NC(=O)NC(=O)c1ccc(NC(=O)CCl)o1.
What is the InChIKey of N-carbamoyl-5-[(2-chloroacetyl)amino]furan-2-carboxamide?
The InChIKey is URRFLIRRJCGGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O4/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 N-carbamoyl-5-[(2-chloroacetyl)amino]furan-2-carboxamide?
N-carbamoyl-5-[(2-chloroacetyl)amino]furan-2-carboxamide has a molecular weight of 245.62 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-5-[(2-chloroacetyl)amino]furan-2-carboxamide is sourced from PubChem (CID 44577014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).