N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide

C24H20FN3O2 — CID 83289806

IUPACN-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc2[nH]c(C(=O)NCc3ccccc3)cc2c1
InChIInChI=1S/C24H20FN3O2/c25-19-8-6-16(7-9-19)12-23(29)27-20-10-11-21-18(13-20)14-22(28-21)24(30)26-15-17-4-2-1-3-5-17/h1-11,13-14,28H,12,15H2,(H,26,30)(H,27,29)
InChIKeyZQWXOAJSVTUEAI-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.42
Rot. Bonds6

About N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide

N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide (PubChem CID 83289806) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide
PubChem CID83289806
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC NameN-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc2[nH]c(C(=O)NCc3ccccc3)cc2c1
InChIInChI=1S/C24H20FN3O2/c25-19-8-6-16(7-9-19)12-23(29)27-20-10-11-21-18(13-20)14-22(28-21)24(30)26-15-17-4-2-1-3-5-17/h1-11,13-14,28H,12,15H2,(H,26,30)(H,27,29)
InChIKeyZQWXOAJSVTUEAI-UHFFFAOYSA-N
XLogP4.42
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide
CID 83289883
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide
CID 21014514
N-(2-methylpropyl)-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide
CID 83280451
2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 42852618
N-benzyl-2-[4-[(4-fluorophenyl)methylamino]phenyl]acetamide
CID 46045383
5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 21014440
N-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide
CID 24678417
N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-2-phenylacetamide
CID 87006955
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide
CID 46415642
5-fluoro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014433

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide (CID 83289806) is N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide is O=C(Cc1ccc(F)cc1)Nc1ccc2[nH]c(C(=O)NCc3ccccc3)cc2c1.
What is the InChIKey of N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide?
The InChIKey is ZQWXOAJSVTUEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c25-19-8-6-16(7-9-19)12-23(29)27-20-10-11-21-18(13-20)14-22(28-21)24(30)26-15-17-4-2-1-3-5-17/h1-11,13-14,28H,12,15H2,(H,26,30)(H,27,29).
What are the key properties of N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide?
N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 83289806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).