N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide

C24H20F2N2O — CID 67974203

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)c1cccc(Cc2cccc(F)c2)c1
InChIInChI=1S/C24H20F2N2O/c25-20-6-2-4-17(13-20)11-16-3-1-5-18(12-16)24(29)27-10-9-19-15-28-23-8-7-21(26)14-22(19)23/h1-8,12-15,28H,9-11H2,(H,27,29)
InChIKeyUNWKXYRCRWYDNG-UHFFFAOYSA-N
MW390.43 g/mol
LogP5.01
Rot. Bonds6

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide (PubChem CID 67974203) has the molecular formula C24H20F2N2O and a molecular weight of 390.43 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide
PubChem CID67974203
Molecular FormulaC24H20F2N2O
Molecular Weight390.43 g/mol
Exact Mass390.15
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)c1cccc(Cc2cccc(F)c2)c1
InChIInChI=1S/C24H20F2N2O/c25-20-6-2-4-17(13-20)11-16-3-1-5-18(12-16)24(29)27-10-9-19-15-28-23-8-7-21(26)14-22(19)23/h1-8,12-15,28H,9-11H2,(H,27,29)
InChIKeyUNWKXYRCRWYDNG-UHFFFAOYSA-N
XLogP5.01
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.43
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
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-[(2-fluorophenyl)methyl]benzamide
CID 86699424
N-ethyl-3-[[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]benzamide
CID 111972474
3-[[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]-N-propylbenzamide
CID 111972968
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 110731484
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 110731470
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)benzamide
CID 167764059
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide
CID 86699433
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 113083594
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-cyanophenyl)methyl]benzamide
CID 67974504
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide (CID 67974203) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide is O=C(NCCc1c[nH]c2ccc(F)cc12)c1cccc(Cc2cccc(F)c2)c1.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide?
The InChIKey is UNWKXYRCRWYDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O/c25-20-6-2-4-17(13-20)11-16-3-1-5-18(12-16)24(29)27-10-9-19-15-28-23-8-7-21(26)14-22(19)23/h1-8,12-15,28H,9-11H2,(H,27,29).
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide has a molecular weight of 390.43 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 67974203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).