5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide

C18H15ClN2O2 — CID 70709024

IUPAC5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide
SMILESO=C(NCCc1ccncc1)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H15ClN2O2/c19-15-4-2-1-3-14(15)16-5-6-17(23-16)18(22)21-12-9-13-7-10-20-11-8-13/h1-8,10-11H,9,12H2,(H,21,22)
InChIKeyAOHQGARBNICNTR-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.97
Rot. Bonds5

About 5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide

5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide (PubChem CID 70709024) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide
PubChem CID70709024
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide
SMILESO=C(NCCc1ccncc1)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H15ClN2O2/c19-15-4-2-1-3-14(15)16-5-6-17(23-16)18(22)21-12-9-13-7-10-20-11-8-13/h1-8,10-11H,9,12H2,(H,21,22)
InChIKeyAOHQGARBNICNTR-UHFFFAOYSA-N
XLogP3.97
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 9080736
5-(2-chlorophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 78800704
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
N-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 56812733
5-(2-chlorophenyl)-N-[2-(ethylamino)ethyl]furan-2-carboxamide
CID 119505945
5-(2-chlorophenyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]furan-2-carboxamide
CID 70717961
methyl 6-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]hexanoate
CID 134014900
5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 9083579
(2R)-2-amino-3-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]propanoic acid
CID 166627868
N'-[5-(2-chlorophenyl)furan-2-carbonyl]pyridine-2-carbohydrazide
CID 8866672
5-(2-chlorophenyl)-N-[2-(methylamino)propyl]furan-2-carboxamide;hydrochloride
CID 120827077

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide (CID 70709024) is 5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide is O=C(NCCc1ccncc1)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide?
The InChIKey is AOHQGARBNICNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-15-4-2-1-3-14(15)16-5-6-17(23-16)18(22)21-12-9-13-7-10-20-11-8-13/h1-8,10-11H,9,12H2,(H,21,22).
What are the key properties of 5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide?
5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 70709024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).