5-(1-chloroethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide

C13H13ClN2O2 — CID 82109061

IUPAC5-(1-chloroethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
SMILESCC(Cl)c1ccc(C(=O)NCc2ccccn2)o1
InChIInChI=1S/C13H13ClN2O2/c1-9(14)11-5-6-12(18-11)13(17)16-8-10-4-2-3-7-15-10/h2-7,9H,8H2,1H3,(H,16,17)
InChIKeyOOOGJBFCKJUEQL-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.90
Rot. Bonds4

About 5-(1-chloroethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide

5-(1-chloroethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide (PubChem CID 82109061) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 5-(1-chloroethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(1-chloroethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
PubChem CID82109061
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name5-(1-chloroethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
SMILESCC(Cl)c1ccc(C(=O)NCc2ccccn2)o1
InChIInChI=1S/C13H13ClN2O2/c1-9(14)11-5-6-12(18-11)13(17)16-8-10-4-2-3-7-15-10/h2-7,9H,8H2,1H3,(H,16,17)
InChIKeyOOOGJBFCKJUEQL-UHFFFAOYSA-N
XLogP2.90
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(methoxymethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 78827581
5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 82110940
4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen
CID 142259068
5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 5023437
2-(methylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 62637273
4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 90338069
5-(pyridin-2-ylmethylamino)furan-2-carboxylic acid
CID 62205127
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
5-bromo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-2-carboxamide
CID 3237599
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
5-[(2,5-dimethylphenoxy)methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 35337267
5-methyl-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 32623665

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(1-chloroethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide (CID 82109061) is 5-(1-chloroethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(1-chloroethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(1-chloroethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide is CC(Cl)c1ccc(C(=O)NCc2ccccn2)o1.
What is the InChIKey of 5-(1-chloroethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The InChIKey is OOOGJBFCKJUEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-9(14)11-5-6-12(18-11)13(17)16-8-10-4-2-3-7-15-10/h2-7,9H,8H2,1H3,(H,16,17).
What are the key properties of 5-(1-chloroethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
5-(1-chloroethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 82109061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).