5-chloro-N-[(2S)-4-(2,2-dihydroxypyrrolidin-1-yl)-2-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide

C23H24ClN3O5 — CID 57307891

IUPAC5-chloro-N-[(2S)-4-(2,2-dihydroxypyrrolidin-1-yl)-2-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@@](O)(CC(=O)N1CCCC1(O)O)Cc1ccccc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C23H24ClN3O5/c24-17-7-8-18-16(11-17)12-19(25-18)21(29)26-22(30,13-15-5-2-1-3-6-15)14-20(28)27-10-4-9-23(27,31)32/h1-3,5-8,11-12,25,30-32H,4,9-10,13-14H2,(H,26,29)/t22-/m0/s1
InChIKeyDRLLSQICPMMNFM-QFIPXVFZSA-N
MW457.91 g/mol
LogP2.13
Rot. Bonds6

About 5-chloro-N-[(2S)-4-(2,2-dihydroxypyrrolidin-1-yl)-2-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide

5-chloro-N-[(2S)-4-(2,2-dihydroxypyrrolidin-1-yl)-2-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide (PubChem CID 57307891) has the molecular formula C23H24ClN3O5 and a molecular weight of 457.91 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-4-(2,2-dihydroxypyrrolidin-1-yl)-2-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-4-(2,2-dihydroxypyrrolidin-1-yl)-2-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide
PubChem CID57307891
Molecular FormulaC23H24ClN3O5
Molecular Weight457.91 g/mol
Exact Mass457.14
IUPAC Name5-chloro-N-[(2S)-4-(2,2-dihydroxypyrrolidin-1-yl)-2-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@@](O)(CC(=O)N1CCCC1(O)O)Cc1ccccc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C23H24ClN3O5/c24-17-7-8-18-16(11-17)12-19(25-18)21(29)26-22(30,13-15-5-2-1-3-6-15)14-20(28)27-10-4-9-23(27,31)32/h1-3,5-8,11-12,25,30-32H,4,9-10,13-14H2,(H,26,29)/t22-/m0/s1
InChIKeyDRLLSQICPMMNFM-QFIPXVFZSA-N
XLogP2.13
TPSA125.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 52.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2-hydroxy-1-oxo-4-phenylbutan-2-yl)-5-chloro-1H-indole-2-carboxamide
CID 22593878
N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide
CID 2814764
(2S,3R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoic acid
CID 10809326
sodium 1-[(2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoyl]azetidine-3-carboxylate
CID 70097424
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
5-chloro-N-[(2S)-1-oxo-1-(3-oxopiperazin-1-yl)-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
CID 20679219
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
5-chloro-N-[2-oxo-2-(2-oxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxamide
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5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
5-chloro-N-[(3R)-4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 56993696
5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide
CID 118425240
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-4-(2,2-dihydroxypyrrolidin-1-yl)-2-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2S)-4-(2,2-dihydroxypyrrolidin-1-yl)-2-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide (CID 57307891) is 5-chloro-N-[(2S)-4-(2,2-dihydroxypyrrolidin-1-yl)-2-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2S)-4-(2,2-dihydroxypyrrolidin-1-yl)-2-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2S)-4-(2,2-dihydroxypyrrolidin-1-yl)-2-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide is O=C(N[C@@](O)(CC(=O)N1CCCC1(O)O)Cc1ccccc1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[(2S)-4-(2,2-dihydroxypyrrolidin-1-yl)-2-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is DRLLSQICPMMNFM-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H24ClN3O5/c24-17-7-8-18-16(11-17)12-19(25-18)21(29)26-22(30,13-15-5-2-1-3-6-15)14-20(28)27-10-4-9-23(27,31)32/h1-3,5-8,11-12,25,30-32H,4,9-10,13-14H2,(H,26,29)/t22-/m0/s1.
What are the key properties of 5-chloro-N-[(2S)-4-(2,2-dihydroxypyrrolidin-1-yl)-2-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide?
5-chloro-N-[(2S)-4-(2,2-dihydroxypyrrolidin-1-yl)-2-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 457.91 g/mol, XLogP of 2.13, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-4-(2,2-dihydroxypyrrolidin-1-yl)-2-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 57307891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).