N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(prop-2-enoylamino)benzamide

C20H18FN3O2 — CID 167846587

IUPACN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccccc1C(=O)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C20H18FN3O2/c1-2-19(25)24-17-6-4-3-5-16(17)20(26)22-10-9-13-12-23-18-11-14(21)7-8-15(13)18/h2-8,11-12,23H,1,9-10H2,(H,22,26)(H,24,25)
InChIKeyRTHIQHHEOXXBNJ-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.40
Rot. Bonds6

About N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(prop-2-enoylamino)benzamide

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(prop-2-enoylamino)benzamide (PubChem CID 167846587) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(prop-2-enoylamino)benzamide
PubChem CID167846587
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccccc1C(=O)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C20H18FN3O2/c1-2-19(25)24-17-6-4-3-5-16(17)20(26)22-10-9-13-12-23-18-11-14(21)7-8-15(13)18/h2-8,11-12,23H,1,9-10H2,(H,22,26)(H,24,25)
InChIKeyRTHIQHHEOXXBNJ-UHFFFAOYSA-N
XLogP3.40
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[2-(6-fluoro-1H-indol-3-yl)ethylcarbamoylamino]benzamide
CID 86973089
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
5-fluoro-2-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 175363337
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-3-ylcarbamoylamino)benzamide
CID 154724354
2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245347
N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 118711596
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 162373909
N-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60607228
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 49409514
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide
CID 49408095

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(prop-2-enoylamino)benzamide?
The IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(prop-2-enoylamino)benzamide (CID 167846587) is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1ccccc1C(=O)NCCc1c[nH]c2cc(F)ccc12.
What is the InChIKey of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(prop-2-enoylamino)benzamide?
The InChIKey is RTHIQHHEOXXBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-2-19(25)24-17-6-4-3-5-16(17)20(26)22-10-9-13-12-23-18-11-14(21)7-8-15(13)18/h2-8,11-12,23H,1,9-10H2,(H,22,26)(H,24,25).
What are the key properties of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(prop-2-enoylamino)benzamide?
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(prop-2-enoylamino)benzamide has a molecular weight of 351.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 167846587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).