2-chloro-4-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]benzamide

C17H15ClFN3O2 — CID 71797259

IUPAC2-chloro-4-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]benzamide
SMILESCn1cc(-c2ccco2)nc1CCNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C17H15ClFN3O2/c1-22-10-14(15-3-2-8-24-15)21-16(22)6-7-20-17(23)12-5-4-11(19)9-13(12)18/h2-5,8-10H,6-7H2,1H3,(H,20,23)
InChIKeyPWEKEDHDNKKSHP-UHFFFAOYSA-N
MW347.78 g/mol
LogP3.45
Rot. Bonds5

About 2-chloro-4-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]benzamide

2-chloro-4-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]benzamide (PubChem CID 71797259) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]benzamide
PubChem CID71797259
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC Name2-chloro-4-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]benzamide
SMILESCn1cc(-c2ccco2)nc1CCNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C17H15ClFN3O2/c1-22-10-14(15-3-2-8-24-15)21-16(22)6-7-20-17(23)12-5-4-11(19)9-13(12)18/h2-5,8-10H,6-7H2,1H3,(H,20,23)
InChIKeyPWEKEDHDNKKSHP-UHFFFAOYSA-N
XLogP3.45
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]benzamide (CID 71797259) is 2-chloro-4-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]benzamide is Cn1cc(-c2ccco2)nc1CCNC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]benzamide?
The InChIKey is PWEKEDHDNKKSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2/c1-22-10-14(15-3-2-8-24-15)21-16(22)6-7-20-17(23)12-5-4-11(19)9-13(12)18/h2-5,8-10H,6-7H2,1H3,(H,20,23).
What are the key properties of 2-chloro-4-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]benzamide?
2-chloro-4-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]benzamide has a molecular weight of 347.78 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 71797259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).