2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid

C20H19ClN2O4 — CID 119193599

IUPAC2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid
SMILESCC(=O)N1CCc2cc(C(=O)N(CC(=O)O)Cc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C20H19ClN2O4/c1-13(24)23-9-8-15-10-16(4-7-18(15)23)20(27)22(12-19(25)26)11-14-2-5-17(21)6-3-14/h2-7,10H,8-9,11-12H2,1H3,(H,25,26)
InChIKeyLOIFKPWAHUGYKW-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.98
Rot. Bonds5

About 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid

2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid (PubChem CID 119193599) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid
PubChem CID119193599
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid
SMILESCC(=O)N1CCc2cc(C(=O)N(CC(=O)O)Cc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C20H19ClN2O4/c1-13(24)23-9-8-15-10-16(4-7-18(15)23)20(27)22(12-19(25)26)11-14-2-5-17(21)6-3-14/h2-7,10H,8-9,11-12H2,1H3,(H,25,26)
InChIKeyLOIFKPWAHUGYKW-UHFFFAOYSA-N
XLogP2.98
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
CID 51271981
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide
CID 53043801
1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 110454560
1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide
CID 55903162
1-acetyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 56536785
1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone
CID 110452236
1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide
CID 55497593
2-[[2-acetyl-10-(3-methylbutyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carbonyl]-[(3-fluorophenyl)methyl]amino]acetic acid
CID 110071200
1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
CID 119259829
4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoic acid
CID 110452215
2-[[(2S)-2-[(4-chlorophenyl)methyl]-2-methyl-3H-1-benzofuran-5-carbonyl]-[(3,4-dichlorophenyl)methyl]amino]acetic acid
CID 125021337
2-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]amino]acetic acid
CID 82100949

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid (CID 119193599) is 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid is CC(=O)N1CCc2cc(C(=O)N(CC(=O)O)Cc3ccc(Cl)cc3)ccc21.
What is the InChIKey of 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid?
The InChIKey is LOIFKPWAHUGYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-13(24)23-9-8-15-10-16(4-7-18(15)23)20(27)22(12-19(25)26)11-14-2-5-17(21)6-3-14/h2-7,10H,8-9,11-12H2,1H3,(H,25,26).
What are the key properties of 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid?
2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid has a molecular weight of 386.84 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid is sourced from PubChem (CID 119193599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).