N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide

C9H11ClN2O3 — CID 108571159

IUPACN-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
SMILESO=C(CCl)NCCNC(=O)c1ccco1
InChIInChI=1S/C9H11ClN2O3/c10-6-8(13)11-3-4-12-9(14)7-2-1-5-15-7/h1-2,5H,3-4,6H2,(H,11,13)(H,12,14)
InChIKeyXEVAWHNMNMNNMU-UHFFFAOYSA-N
MW230.65 g/mol
LogP0.36
Rot. Bonds5

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

N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide (PubChem CID 108571159) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
PubChem CID108571159
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC NameN-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
SMILESO=C(CCl)NCCNC(=O)c1ccco1
InChIInChI=1S/C9H11ClN2O3/c10-6-8(13)11-3-4-12-9(14)7-2-1-5-15-7/h1-2,5H,3-4,6H2,(H,11,13)(H,12,14)
InChIKeyXEVAWHNMNMNNMU-UHFFFAOYSA-N
XLogP0.36
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide
CID 108571149
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119278257
N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
CID 40605624
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
2-chloro-N-[2-(furan-2-yl)-2-oxoethyl]acetamide
CID 66568971
N-[2-(2-hydroxyethylamino)ethyl]furan-2-carboxamide
CID 3155965
N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide
CID 34266144
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide
CID 43049335
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 6490902

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide (CID 108571159) is N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide is O=C(CCl)NCCNC(=O)c1ccco1.
What is the InChIKey of N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide?
The InChIKey is XEVAWHNMNMNNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c10-6-8(13)11-3-4-12-9(14)7-2-1-5-15-7/h1-2,5H,3-4,6H2,(H,11,13)(H,12,14).
What are the key properties of N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide?
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide has a molecular weight of 230.65 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 108571159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).