4-chloro-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzamide

C15H17ClN2O2 — CID 43679591

IUPAC4-chloro-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzamide
SMILESCc1cc(C(C)Nc2cc(C(N)=O)ccc2Cl)c(C)o1
InChIInChI=1S/C15H17ClN2O2/c1-8-6-12(10(3)20-8)9(2)18-14-7-11(15(17)19)4-5-13(14)16/h4-7,9,18H,1-3H3,(H2,17,19)
InChIKeyOHLMHAKGLSPJNV-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.82
Rot. Bonds4

About 4-chloro-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzamide

4-chloro-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzamide (PubChem CID 43679591) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzamide.

Molecular Properties

Compound Name4-chloro-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzamide
PubChem CID43679591
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-chloro-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzamide
SMILESCc1cc(C(C)Nc2cc(C(N)=O)ccc2Cl)c(C)o1
InChIInChI=1S/C15H17ClN2O2/c1-8-6-12(10(3)20-8)9(2)18-14-7-11(15(17)19)4-5-13(14)16/h4-7,9,18H,1-3H3,(H2,17,19)
InChIKeyOHLMHAKGLSPJNV-UHFFFAOYSA-N
XLogP3.82
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzamide?
The IUPAC name of 4-chloro-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzamide (CID 43679591) is 4-chloro-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzamide.
What is the SMILES notation for 4-chloro-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzamide?
The canonical SMILES for 4-chloro-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzamide is Cc1cc(C(C)Nc2cc(C(N)=O)ccc2Cl)c(C)o1.
What is the InChIKey of 4-chloro-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzamide?
The InChIKey is OHLMHAKGLSPJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-8-6-12(10(3)20-8)9(2)18-14-7-11(15(17)19)4-5-13(14)16/h4-7,9,18H,1-3H3,(H2,17,19).
What are the key properties of 4-chloro-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzamide?
4-chloro-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzamide has a molecular weight of 292.77 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzamide is sourced from PubChem (CID 43679591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).