3-[2-[2-(3,5-difluorophenyl)-1-[(2-indol-1-ylacetyl)amino]ethyl]-3-pyridinyl]benzamide

C30H24F2N4O2 — CID 71185064

IUPAC3-[2-[2-(3,5-difluorophenyl)-1-[(2-indol-1-ylacetyl)amino]ethyl]-3-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3ccccc32)c1
InChIInChI=1S/C30H24F2N4O2/c31-23-13-19(14-24(32)17-23)15-26(35-28(37)18-36-12-10-20-5-1-2-9-27(20)36)29-25(8-4-11-34-29)21-6-3-7-22(16-21)30(33)38/h1-14,16-17,26H,15,18H2,(H2,33,38)(H,35,37)
InChIKeyYTVZLUQAKMDSAA-UHFFFAOYSA-N
MW510.54 g/mol
LogP5.18
Rot. Bonds8

About 3-[2-[2-(3,5-difluorophenyl)-1-[(2-indol-1-ylacetyl)amino]ethyl]-3-pyridinyl]benzamide

3-[2-[2-(3,5-difluorophenyl)-1-[(2-indol-1-ylacetyl)amino]ethyl]-3-pyridinyl]benzamide (PubChem CID 71185064) has the molecular formula C30H24F2N4O2 and a molecular weight of 510.54 g/mol. Its IUPAC name is 3-[2-[2-(3,5-difluorophenyl)-1-[(2-indol-1-ylacetyl)amino]ethyl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[2-[2-(3,5-difluorophenyl)-1-[(2-indol-1-ylacetyl)amino]ethyl]-3-pyridinyl]benzamide
PubChem CID71185064
Molecular FormulaC30H24F2N4O2
Molecular Weight510.54 g/mol
Exact Mass510.19
IUPAC Name3-[2-[2-(3,5-difluorophenyl)-1-[(2-indol-1-ylacetyl)amino]ethyl]-3-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3ccccc32)c1
InChIInChI=1S/C30H24F2N4O2/c31-23-13-19(14-24(32)17-23)15-26(35-28(37)18-36-12-10-20-5-1-2-9-27(20)36)29-25(8-4-11-34-29)21-6-3-7-22(16-21)30(33)38/h1-14,16-17,26H,15,18H2,(H2,33,38)(H,35,37)
InChIKeyYTVZLUQAKMDSAA-UHFFFAOYSA-N
XLogP5.18
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.54
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3,5-difluorophenyl)-1-[(2-indol-1-ylacetyl)amino]ethyl]-3-pyridinyl]benzamide?
The IUPAC name of 3-[2-[2-(3,5-difluorophenyl)-1-[(2-indol-1-ylacetyl)amino]ethyl]-3-pyridinyl]benzamide (CID 71185064) is 3-[2-[2-(3,5-difluorophenyl)-1-[(2-indol-1-ylacetyl)amino]ethyl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-[2-[2-(3,5-difluorophenyl)-1-[(2-indol-1-ylacetyl)amino]ethyl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-[2-[2-(3,5-difluorophenyl)-1-[(2-indol-1-ylacetyl)amino]ethyl]-3-pyridinyl]benzamide is NC(=O)c1cccc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3ccccc32)c1.
What is the InChIKey of 3-[2-[2-(3,5-difluorophenyl)-1-[(2-indol-1-ylacetyl)amino]ethyl]-3-pyridinyl]benzamide?
The InChIKey is YTVZLUQAKMDSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F2N4O2/c31-23-13-19(14-24(32)17-23)15-26(35-28(37)18-36-12-10-20-5-1-2-9-27(20)36)29-25(8-4-11-34-29)21-6-3-7-22(16-21)30(33)38/h1-14,16-17,26H,15,18H2,(H2,33,38)(H,35,37).
What are the key properties of 3-[2-[2-(3,5-difluorophenyl)-1-[(2-indol-1-ylacetyl)amino]ethyl]-3-pyridinyl]benzamide?
3-[2-[2-(3,5-difluorophenyl)-1-[(2-indol-1-ylacetyl)amino]ethyl]-3-pyridinyl]benzamide has a molecular weight of 510.54 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3,5-difluorophenyl)-1-[(2-indol-1-ylacetyl)amino]ethyl]-3-pyridinyl]benzamide is sourced from PubChem (CID 71185064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).