(2R)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-2-phenylacetic acid

C18H15ClN2O3 — CID 7633451

IUPAC(2R)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-2-phenylacetic acid
SMILESCn1c(C(=O)N[C@@H](C(=O)O)c2ccccc2)cc2cc(Cl)ccc21
InChIInChI=1S/C18H15ClN2O3/c1-21-14-8-7-13(19)9-12(14)10-15(21)17(22)20-16(18(23)24)11-5-3-2-4-6-11/h2-10,16H,1H3,(H,20,22)(H,23,24)/t16-/m1/s1
InChIKeySHGLFLBLWCBNKP-MRXNPFEDSA-N
MW342.78 g/mol
LogP3.39
Rot. Bonds4

About (2R)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-2-phenylacetic acid

(2R)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-2-phenylacetic acid (PubChem CID 7633451) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is (2R)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-2-phenylacetic acid
PubChem CID7633451
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name(2R)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-2-phenylacetic acid
SMILESCn1c(C(=O)N[C@@H](C(=O)O)c2ccccc2)cc2cc(Cl)ccc21
InChIInChI=1S/C18H15ClN2O3/c1-21-14-8-7-13(19)9-12(14)10-15(21)17(22)20-16(18(23)24)11-5-3-2-4-6-11/h2-10,16H,1H3,(H,20,22)(H,23,24)/t16-/m1/s1
InChIKeySHGLFLBLWCBNKP-MRXNPFEDSA-N
XLogP3.39
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-2-phenylacetic acid (CID 7633451) is (2R)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-2-phenylacetic acid is Cn1c(C(=O)N[C@@H](C(=O)O)c2ccccc2)cc2cc(Cl)ccc21.
What is the InChIKey of (2R)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is SHGLFLBLWCBNKP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-21-14-8-7-13(19)9-12(14)10-15(21)17(22)20-16(18(23)24)11-5-3-2-4-6-11/h2-10,16H,1H3,(H,20,22)(H,23,24)/t16-/m1/s1.
What are the key properties of (2R)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-2-phenylacetic acid?
(2R)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 342.78 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 7633451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).