N-[(2S)-1-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide

C24H26FN3O3 — CID 171530259

IUPACN-[(2S)-1-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NC(C=O)Cc1ccc(F)cc1
InChIInChI=1S/C24H26FN3O3/c1-15(2)11-21(28-24(31)22-13-17-5-3-4-6-20(17)27-22)23(30)26-19(14-29)12-16-7-9-18(25)10-8-16/h3-10,13-15,19,21,27H,11-12H2,1-2H3,(H,26,30)(H,28,31)/t19?,21-/m0/s1
InChIKeyZDDPNMZBWIUGLY-QWAKEFERSA-N
MW423.49 g/mol
LogP3.38
Rot. Bonds9

About N-[(2S)-1-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide

N-[(2S)-1-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide (PubChem CID 171530259) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[(2S)-1-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
PubChem CID171530259
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC NameN-[(2S)-1-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NC(C=O)Cc1ccc(F)cc1
InChIInChI=1S/C24H26FN3O3/c1-15(2)11-21(28-24(31)22-13-17-5-3-4-6-20(17)27-22)23(30)26-19(14-29)12-16-7-9-18(25)10-8-16/h3-10,13-15,19,21,27H,11-12H2,1-2H3,(H,26,30)(H,28,31)/t19?,21-/m0/s1
InChIKeyZDDPNMZBWIUGLY-QWAKEFERSA-N
XLogP3.38
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 146672918
2-[[(2S)-2-(1H-indole-2-carbonylamino)-4-methylpentanoyl]amino]octanediamide
CID 171530236
5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 39982788
benzyl N-[4-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]pentan-2-yl]carbamate
CID 10178881
N-[(2S)-1-[[(2S)-4-chloro-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide;ethane
CID 166156990
methyl (2R)-2-[[(2S)-2-(1H-indole-2-carbonylamino)-4-sulfanylbutanoyl]amino]-3-phenylpropanoate
CID 87055155
N-[(2R)-1-(4-fluorophenyl)-3-oxopropan-2-yl]acetamide
CID 87362710
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2R)-1-oxo-3-phenylpropan-2-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 10346223
N-[(2S)-1-[2-(3-amino-3-oxopropyl)-2-[(2R)-2-chloro-2-fluoroacetyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide;N-[(2S)-1-[2-(3-amino-3-oxopropyl)-2-[(2S)-2-chloro-2-fluoroacetyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 163439758
N-[(2S)-1-[[(3S)-5-methylsulfinylpent-1-yn-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
CID 171534305
N-[(2R)-1-[2-(3-amino-3-oxopropyl)-2-[(2S)-2-chloro-2-fluoroacetyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 162739271

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-1-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide (CID 171530259) is N-[(2S)-1-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide is CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NC(C=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[(2S)-1-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is ZDDPNMZBWIUGLY-QWAKEFERSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-15(2)11-21(28-24(31)22-13-17-5-3-4-6-20(17)27-22)23(30)26-19(14-29)12-16-7-9-18(25)10-8-16/h3-10,13-15,19,21,27H,11-12H2,1-2H3,(H,26,30)(H,28,31)/t19?,21-/m0/s1.
What are the key properties of N-[(2S)-1-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide?
N-[(2S)-1-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.38, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[1-(4-fluorophenyl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 171530259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).