2,4-dichloro-N-[(1R)-1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide

C18H14Cl2N2O2 — CID 984262

IUPAC2,4-dichloro-N-[(1R)-1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide
SMILESC[C@H](c1ccco1)N(C(=O)c1ccc(Cl)cc1Cl)c1ccccn1
InChIInChI=1S/C18H14Cl2N2O2/c1-12(16-5-4-10-24-16)22(17-6-2-3-9-21-17)18(23)14-8-7-13(19)11-15(14)20/h2-12H,1H3/t12-/m1/s1
InChIKeyMGOQURJSSXCKID-GFCCVEGCSA-N
MW361.23 g/mol
LogP5.39
Rot. Bonds4

About 2,4-dichloro-N-[(1R)-1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide

2,4-dichloro-N-[(1R)-1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide (PubChem CID 984262) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 2,4-dichloro-N-[(1R)-1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(1R)-1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide
PubChem CID984262
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name2,4-dichloro-N-[(1R)-1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide
SMILESC[C@H](c1ccco1)N(C(=O)c1ccc(Cl)cc1Cl)c1ccccn1
InChIInChI=1S/C18H14Cl2N2O2/c1-12(16-5-4-10-24-16)22(17-6-2-3-9-21-17)18(23)14-8-7-13(19)11-15(14)20/h2-12H,1H3/t12-/m1/s1
InChIKeyMGOQURJSSXCKID-GFCCVEGCSA-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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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(1R)-1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 2,4-dichloro-N-[(1R)-1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide (CID 984262) is 2,4-dichloro-N-[(1R)-1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[(1R)-1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[(1R)-1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide is C[C@H](c1ccco1)N(C(=O)c1ccc(Cl)cc1Cl)c1ccccn1.
What is the InChIKey of 2,4-dichloro-N-[(1R)-1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide?
The InChIKey is MGOQURJSSXCKID-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-12(16-5-4-10-24-16)22(17-6-2-3-9-21-17)18(23)14-8-7-13(19)11-15(14)20/h2-12H,1H3/t12-/m1/s1.
What are the key properties of 2,4-dichloro-N-[(1R)-1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide?
2,4-dichloro-N-[(1R)-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 2,4-dichloro-N-[(1R)-1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 984262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).