2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid

C18H15ClN2O3 — CID 53371268

IUPAC2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
SMILESO=C(Cn1ccc2cc(Cl)ccc21)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C18H15ClN2O3/c19-14-6-7-15-13(10-14)8-9-21(15)11-16(22)20-17(18(23)24)12-4-2-1-3-5-12/h1-10,17H,11H2,(H,20,22)(H,23,24)
InChIKeyOGEWIIVRGSUDLB-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.24
Rot. Bonds5

About 2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid

2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid (PubChem CID 53371268) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
PubChem CID53371268
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
SMILESO=C(Cn1ccc2cc(Cl)ccc21)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C18H15ClN2O3/c19-14-6-7-15-13(10-14)8-9-21(15)11-16(22)20-17(18(23)24)12-4-2-1-3-5-12/h1-10,17H,11H2,(H,20,22)(H,23,24)
InChIKeyOGEWIIVRGSUDLB-UHFFFAOYSA-N
XLogP3.24
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid
CID 45491721
2-[[2-(5-chloroindol-1-yl)acetyl]amino]propanoic acid
CID 53368015
2-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide
CID 39336499
(2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
CID 45496037
2-(4-fluoro-3-methylphenyl)-2-[[2-(5-methylindol-1-yl)acetyl]amino]acetic acid
CID 166376773
N-carbamoyl-2-(5-chloroindol-1-yl)acetamide
CID 116623133
2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide
CID 39349235
(2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid
CID 68889856
2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40631420
2-[(2-indol-1-ylacetyl)amino]butanoic acid
CID 119223861
2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 42655004
2-acetamido-3-(5-chloroindol-1-yl)propanoic acid
CID 64581311

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid (CID 53371268) is 2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid is O=C(Cn1ccc2cc(Cl)ccc21)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid?
The InChIKey is OGEWIIVRGSUDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-14-6-7-15-13(10-14)8-9-21(15)11-16(22)20-17(18(23)24)12-4-2-1-3-5-12/h1-10,17H,11H2,(H,20,22)(H,23,24).
What are the key properties of 2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid?
2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid has a molecular weight of 342.78 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 53371268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).