3,5-dichloro-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide

C18H14Cl2N2O2 — CID 3680619

IUPAC3,5-dichloro-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide
SMILESCC(c1ccco1)N(C(=O)c1cc(Cl)cc(Cl)c1)c1ccccn1
InChIInChI=1S/C18H14Cl2N2O2/c1-12(16-5-4-8-24-16)22(17-6-2-3-7-21-17)18(23)13-9-14(19)11-15(20)10-13/h2-12H,1H3
InChIKeyIDDKKPCMEWUYBH-UHFFFAOYSA-N
MW361.23 g/mol
LogP5.39
Rot. Bonds4

About 3,5-dichloro-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide

3,5-dichloro-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide (PubChem CID 3680619) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 3,5-dichloro-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide
PubChem CID3680619
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name3,5-dichloro-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide
SMILESCC(c1ccco1)N(C(=O)c1cc(Cl)cc(Cl)c1)c1ccccn1
InChIInChI=1S/C18H14Cl2N2O2/c1-12(16-5-4-8-24-16)22(17-6-2-3-7-21-17)18(23)13-9-14(19)11-15(20)10-13/h2-12H,1H3
InChIKeyIDDKKPCMEWUYBH-UHFFFAOYSA-N
XLogP5.39
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.23
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

MS 28
CID 195216
N-[4-[(4-methylpyridin-2-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 1262407
N-[1-(furan-2-yl)ethyl]-N-pyridin-2-yladamantane-1-carboxamide
CID 2999743
Furan-2-carboxylic acid (1-phenethyl-piperidin-4-yl)-pyridin-2-yl-amide
CID 10339454
2-(Furan-2-yl)-3-(4-methylpyridin-2-yl)quinazolin-4-one
CID 645426
N-[4-(pyridin-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 648003
N-[(1,1-Dimethyl-propylcarbamoyl)-(4-fluoro-phenyl)-methyl]-N-furan-2-ylmethyl-N'-pyridin-2-yl-succinamide
CID 651822
N-{4-chloro-2-[(2-pyridinylamino)carbonyl]phenyl}-2-furamide
CID 654024
2-(Furan-2-yl)-3-pyridin-2-ylquinazolin-4-one
CID 829486
2-(Furan-2-yl)-3-(3-methylpyridin-2-yl)quinazolin-4-one
CID 829489
N-(5-chloropyridin-2-yl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 1372434
2-(2,4-dichlorophenoxy)-N-[1-(2-furyl)ethyl]-N-2-pyridinylacetamide
CID 2997578

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 3,5-dichloro-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide (CID 3680619) is 3,5-dichloro-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3,5-dichloro-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3,5-dichloro-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide is CC(c1ccco1)N(C(=O)c1cc(Cl)cc(Cl)c1)c1ccccn1.
What is the InChIKey of 3,5-dichloro-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide?
The InChIKey is IDDKKPCMEWUYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-12(16-5-4-8-24-16)22(17-6-2-3-7-21-17)18(23)13-9-14(19)11-15(20)10-13/h2-12H,1H3.
What are the key properties of 3,5-dichloro-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide?
3,5-dichloro-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide has a molecular weight of 361.23 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 3680619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).