(2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid

C18H15ClN2O3 — CID 45496037

IUPAC(2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
SMILESO=C(Cn1ccc2c(Cl)cccc21)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C18H15ClN2O3/c19-14-7-4-8-15-13(14)9-10-21(15)11-16(22)20-17(18(23)24)12-5-2-1-3-6-12/h1-10,17H,11H2,(H,20,22)(H,23,24)/t17-/m1/s1
InChIKeyMYZXBWYDOLSDIF-QGZVFWFLSA-N
MW342.78 g/mol
LogP3.24
Rot. Bonds5

About (2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid

(2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid (PubChem CID 45496037) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is (2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
PubChem CID45496037
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name(2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
SMILESO=C(Cn1ccc2c(Cl)cccc21)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C18H15ClN2O3/c19-14-7-4-8-15-13(14)9-10-21(15)11-16(22)20-17(18(23)24)12-5-2-1-3-6-12/h1-10,17H,11H2,(H,20,22)(H,23,24)/t17-/m1/s1
InChIKeyMYZXBWYDOLSDIF-QGZVFWFLSA-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]-2-phenylacetic acid
CID 53371268
2-(4-chloroindol-1-yl)-N-pyridin-4-ylacetamide
CID 52899114
2-(4-chloroindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116623796
2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 116623818
6-[[2-(4-chloroindol-1-yl)acetyl]amino]hexanoic acid
CID 45492894
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 110001825
2-(4-chloroindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 71704022
(2R)-2-[3-(4-chloroindol-1-yl)propanoylamino]-4-methylpentanoic acid
CID 124645308
2-(4-chloroindol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 39334901
2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid
CID 43079894
1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one
CID 116623868

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid (CID 45496037) is (2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid is O=C(Cn1ccc2c(Cl)cccc21)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid?
The InChIKey is MYZXBWYDOLSDIF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-14-7-4-8-15-13(14)9-10-21(15)11-16(22)20-17(18(23)24)12-5-2-1-3-6-12/h1-10,17H,11H2,(H,20,22)(H,23,24)/t17-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid?
(2R)-2-[[2-(4-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 (2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 45496037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).