2-(4-fluoro-3-methylphenyl)-2-[[2-(5-methylindol-1-yl)acetyl]amino]acetic acid

C20H19FN2O3 — CID 166376773

IUPAC2-(4-fluoro-3-methylphenyl)-2-[[2-(5-methylindol-1-yl)acetyl]amino]acetic acid
SMILESCc1ccc2c(ccn2CC(=O)NC(C(=O)O)c2ccc(F)c(C)c2)c1
InChIInChI=1S/C20H19FN2O3/c1-12-3-6-17-14(9-12)7-8-23(17)11-18(24)22-19(20(25)26)15-4-5-16(21)13(2)10-15/h3-10,19H,11H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyAEHGMEYZFNSMCE-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.34
Rot. Bonds5

About 2-(4-fluoro-3-methylphenyl)-2-[[2-(5-methylindol-1-yl)acetyl]amino]acetic acid

2-(4-fluoro-3-methylphenyl)-2-[[2-(5-methylindol-1-yl)acetyl]amino]acetic acid (PubChem CID 166376773) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-2-[[2-(5-methylindol-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-2-[[2-(5-methylindol-1-yl)acetyl]amino]acetic acid
PubChem CID166376773
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name2-(4-fluoro-3-methylphenyl)-2-[[2-(5-methylindol-1-yl)acetyl]amino]acetic acid
SMILESCc1ccc2c(ccn2CC(=O)NC(C(=O)O)c2ccc(F)c(C)c2)c1
InChIInChI=1S/C20H19FN2O3/c1-12-3-6-17-14(9-12)7-8-23(17)11-18(24)22-19(20(25)26)15-4-5-16(21)13(2)10-15/h3-10,19H,11H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyAEHGMEYZFNSMCE-UHFFFAOYSA-N
XLogP3.34
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
CID 53371268
2-(5-methylindol-1-yl)-N-pentan-2-ylacetamide
CID 116622911
(2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid
CID 45491721
N-ethyl-2-(5-methylindol-1-yl)acetamide
CID 116623028
2-[[2-(5-chloroindol-1-yl)acetyl]amino]propanoic acid
CID 53368015
N-(2,5-dimethylphenyl)-2-(5-propan-2-ylindol-1-yl)acetamide
CID 110830986
2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116623041
2-(5-methylindol-1-yl)-N-prop-2-enylacetamide
CID 116623020
(2S)-2-[[2-(5-bromoindol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 39310431
2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40631420
2-(4-fluoro-3-methylphenyl)-2-[(3-methylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetic acid
CID 166369102
(2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid
CID 39377928

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-[[2-(5-methylindol-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-[[2-(5-methylindol-1-yl)acetyl]amino]acetic acid (CID 166376773) is 2-(4-fluoro-3-methylphenyl)-2-[[2-(5-methylindol-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-2-[[2-(5-methylindol-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-2-[[2-(5-methylindol-1-yl)acetyl]amino]acetic acid is Cc1ccc2c(ccn2CC(=O)NC(C(=O)O)c2ccc(F)c(C)c2)c1.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-2-[[2-(5-methylindol-1-yl)acetyl]amino]acetic acid?
The InChIKey is AEHGMEYZFNSMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-12-3-6-17-14(9-12)7-8-23(17)11-18(24)22-19(20(25)26)15-4-5-16(21)13(2)10-15/h3-10,19H,11H2,1-2H3,(H,22,24)(H,25,26).
What are the key properties of 2-(4-fluoro-3-methylphenyl)-2-[[2-(5-methylindol-1-yl)acetyl]amino]acetic acid?
2-(4-fluoro-3-methylphenyl)-2-[[2-(5-methylindol-1-yl)acetyl]amino]acetic acid has a molecular weight of 354.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-2-[[2-(5-methylindol-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 166376773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).