2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide

C11H13ClN2O3 — CID 106687261

IUPAC2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide
SMILESO=C(NCCNC(=O)C1CC1)c1ccoc1Cl
InChIInChI=1S/C11H13ClN2O3/c12-9-8(3-6-17-9)11(16)14-5-4-13-10(15)7-1-2-7/h3,6-7H,1-2,4-5H2,(H,13,15)(H,14,16)
InChIKeyALAXKWOAPKSYKG-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.19
Rot. Bonds5

About 2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide

2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide (PubChem CID 106687261) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide
PubChem CID106687261
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide
SMILESO=C(NCCNC(=O)C1CC1)c1ccoc1Cl
InChIInChI=1S/C11H13ClN2O3/c12-9-8(3-6-17-9)11(16)14-5-4-13-10(15)7-1-2-7/h3,6-7H,1-2,4-5H2,(H,13,15)(H,14,16)
InChIKeyALAXKWOAPKSYKG-UHFFFAOYSA-N
XLogP1.19
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-propylfuran-3-carboxamide
CID 106685121
2-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]furan-3-carboxamide
CID 106685634
N-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide
CID 68724609
2-chloro-N-pent-4-ynylfuran-3-carboxamide
CID 106812151
2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide
CID 106687305
N-[2-(cyclohexanecarbonylamino)ethyl]-1-benzofuran-4-carboxamide
CID 68725879
N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide
CID 106812546
N-(2-amino-2-cyclopropylethyl)-2-chlorofuran-3-carboxamide
CID 106688585
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 115747449
N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 113257034
2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide
CID 106687268
ethyl 4-[(2-chlorofuran-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 106685563

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide (CID 106687261) is 2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide is O=C(NCCNC(=O)C1CC1)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide?
The InChIKey is ALAXKWOAPKSYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c12-9-8(3-6-17-9)11(16)14-5-4-13-10(15)7-1-2-7/h3,6-7H,1-2,4-5H2,(H,13,15)(H,14,16).
What are the key properties of 2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide?
2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide has a molecular weight of 256.69 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide is sourced from PubChem (CID 106687261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).