2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide

C23H20FN3O — CID 162373909

IUPAC2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccccc1Nc1ccccc1F
InChIInChI=1S/C23H20FN3O/c24-19-9-3-6-12-22(19)27-21-11-5-2-8-18(21)23(28)25-14-13-16-15-26-20-10-4-1-7-17(16)20/h1-12,15,26-27H,13-14H2,(H,25,28)
InChIKeyBBXPRSWJSKBFHL-UHFFFAOYSA-N
MW373.43 g/mol
LogP5.02
Rot. Bonds6

About 2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide

2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 162373909) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID162373909
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccccc1Nc1ccccc1F
InChIInChI=1S/C23H20FN3O/c24-19-9-3-6-12-22(19)27-21-11-5-2-8-18(21)23(28)25-14-13-16-15-26-20-10-4-1-7-17(16)20/h1-12,15,26-27H,13-14H2,(H,25,28)
InChIKeyBBXPRSWJSKBFHL-UHFFFAOYSA-N
XLogP5.02
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 118711596
2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002455
2-(4-butylanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 164621073
4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109215313
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
5-fluoro-2-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 175363337
2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645249
2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245347
6-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
CID 109123298
N'-[(2-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108531516
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 162373909) is 2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide is O=C(NCCc1c[nH]c2ccccc12)c1ccccc1Nc1ccccc1F.
What is the InChIKey of 2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is BBXPRSWJSKBFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c24-19-9-3-6-12-22(19)27-21-11-5-2-8-18(21)23(28)25-14-13-16-15-26-20-10-4-1-7-17(16)20/h1-12,15,26-27H,13-14H2,(H,25,28).
What are the key properties of 2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 373.43 g/mol, XLogP of 5.02, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 162373909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).