N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide

C22H19ClN2O2 — CID 86699433

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2ccco2)c1
InChIInChI=1S/C22H19ClN2O2/c23-18-6-7-21-20(13-18)17(14-25-21)8-9-24-22(26)16-4-1-3-15(11-16)12-19-5-2-10-27-19/h1-7,10-11,13-14,25H,8-9,12H2,(H,24,26)
InChIKeyUIUISBUPJSQSHL-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.98
Rot. Bonds6

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide (PubChem CID 86699433) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide
PubChem CID86699433
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2ccco2)c1
InChIInChI=1S/C22H19ClN2O2/c23-18-6-7-21-20(13-18)17(14-25-21)8-9-24-22(26)16-4-1-3-15(11-16)12-19-5-2-10-27-19/h1-7,10-11,13-14,25H,8-9,12H2,(H,24,26)
InChIKeyUIUISBUPJSQSHL-UHFFFAOYSA-N
XLogP4.98
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-fluorophenyl)methyl]benzamide
CID 86699424
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-cyanophenyl)methyl]benzamide
CID 67974504
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide
CID 67974093
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
CID 17271850
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide
CID 67974203
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)benzamide
CID 167764059
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-cyanoanilino)benzamide
CID 86699438
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 110731470
2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 113209520

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide (CID 86699433) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2ccco2)c1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide?
The InChIKey is UIUISBUPJSQSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c23-18-6-7-21-20(13-18)17(14-25-21)8-9-24-22(26)16-4-1-3-15(11-16)12-19-5-2-10-27-19/h1-7,10-11,13-14,25H,8-9,12H2,(H,24,26).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide has a molecular weight of 378.86 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 86699433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).