(2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid

C20H20Cl2N2O3 — CID 66991920

IUPAC(2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21)C(=O)O
InChIInChI=1S/C20H20Cl2N2O3/c1-11(2)17(18(25)26)24-20(10-12-4-3-5-13(21)8-12)15-7-6-14(22)9-16(15)23-19(20)27/h3-9,11,17,24H,10H2,1-2H3,(H,23,27)(H,25,26)/t17-,20?/m1/s1
InChIKeyBCNNXOOWEKBOIP-DIAVIDTQSA-N
MW407.30 g/mol
LogP4.08
Rot. Bonds6

About (2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid

(2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid (PubChem CID 66991920) has the molecular formula C20H20Cl2N2O3 and a molecular weight of 407.30 g/mol. Its IUPAC name is (2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid
PubChem CID66991920
Molecular FormulaC20H20Cl2N2O3
Molecular Weight407.30 g/mol
Exact Mass406.09
IUPAC Name(2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21)C(=O)O
InChIInChI=1S/C20H20Cl2N2O3/c1-11(2)17(18(25)26)24-20(10-12-4-3-5-13(21)8-12)15-7-6-14(22)9-16(15)23-19(20)27/h3-9,11,17,24H,10H2,1-2H3,(H,23,27)(H,25,26)/t17-,20?/m1/s1
InChIKeyBCNNXOOWEKBOIP-DIAVIDTQSA-N
XLogP4.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid with MolForge

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Related Compounds

6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one
CID 141199660
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-cyclohexyl-4-methylpentanamide
CID 66991650
3-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide
CID 57479042
6-chloro-3-[(3-chlorophenyl)methyl]-3-(3,4-difluoroanilino)-1H-indol-2-one
CID 24950436
1-[5-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-methylpentanoyl]piperidine-4-carboxamide
CID 57479032
(3R)-3-anilino-3-benzyl-6-chloro-1H-indol-2-one
CID 132839204
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]ethylcarbamic acid;cyclobutane
CID 68562707
2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]anilino]-N-propan-2-ylacetamide
CID 68565540
4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]octanoic acid
CID 70320059
N-(2-amino-3-oxobutyl)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-propan-2-ylbenzamide
CID 150596245
3-[2-(4-acetylpiperazine-1-carbonyl)-5-fluoroanilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one
CID 57479199
6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one;N-propan-2-ylacetamide
CID 143373595

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid (CID 66991920) is (2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid is CC(C)[C@@H](NC1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21)C(=O)O.
What is the InChIKey of (2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid?
The InChIKey is BCNNXOOWEKBOIP-DIAVIDTQSA-N. The full InChI is InChI=1S/C20H20Cl2N2O3/c1-11(2)17(18(25)26)24-20(10-12-4-3-5-13(21)8-12)15-7-6-14(22)9-16(15)23-19(20)27/h3-9,11,17,24H,10H2,1-2H3,(H,23,27)(H,25,26)/t17-,20?/m1/s1.
What are the key properties of (2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid?
(2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid has a molecular weight of 407.30 g/mol, XLogP of 4.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 66991920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).