(3R)-3-anilino-3-benzyl-6-chloro-1H-indol-2-one

C21H17ClN2O — CID 132839204

IUPAC(3R)-3-anilino-3-benzyl-6-chloro-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2[C@@]1(Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C21H17ClN2O/c22-16-11-12-18-19(13-16)23-20(25)21(18,14-15-7-3-1-4-8-15)24-17-9-5-2-6-10-17/h1-13,24H,14H2,(H,23,25)/t21-/m1/s1
InChIKeyYETREEQKINQQSR-OAQYLSRUSA-N
MW348.83 g/mol
LogP4.84
Rot. Bonds4

About (3R)-3-anilino-3-benzyl-6-chloro-1H-indol-2-one

(3R)-3-anilino-3-benzyl-6-chloro-1H-indol-2-one (PubChem CID 132839204) has the molecular formula C21H17ClN2O and a molecular weight of 348.83 g/mol. Its IUPAC name is (3R)-3-anilino-3-benzyl-6-chloro-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-anilino-3-benzyl-6-chloro-1H-indol-2-one
PubChem CID132839204
Molecular FormulaC21H17ClN2O
Molecular Weight348.83 g/mol
Exact Mass348.10
IUPAC Name(3R)-3-anilino-3-benzyl-6-chloro-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2[C@@]1(Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C21H17ClN2O/c22-16-11-12-18-19(13-16)23-20(25)21(18,14-15-7-3-1-4-8-15)24-17-9-5-2-6-10-17/h1-13,24H,14H2,(H,23,25)/t21-/m1/s1
InChIKeyYETREEQKINQQSR-OAQYLSRUSA-N
XLogP4.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-3-[(3-chlorophenyl)methyl]-3-(3,4-difluoroanilino)-1H-indol-2-one
CID 24950436
6-chloro-3-[(3-chlorophenyl)methyl]-3-[3-(trifluoromethoxy)anilino]-1H-indol-2-one
CID 24950440
(3R)-3-anilino-3-[(4-methylphenyl)methyl]-1H-indol-2-one
CID 132839196
6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one
CID 141199660
(2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid
CID 66991920
3-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide
CID 57479042
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4,5-difluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
CID 70888004
6-chloro-3,3-difluoro-1H-indol-2-one
CID 58398958
3-[2-(4-acetylpiperazine-1-carbonyl)-5-fluoroanilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one
CID 57479199
3-[5-amino-2-(morpholine-4-carbonyl)anilino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one
CID 89067918
6-chloro-3,3-dimethyl-1H-indol-2-one
CID 58398957
6-chlorospiro[1H-indole-3,3'-azetidine]-2-one
CID 155891599

Frequently Asked Questions

What is the IUPAC name of (3R)-3-anilino-3-benzyl-6-chloro-1H-indol-2-one?
The IUPAC name of (3R)-3-anilino-3-benzyl-6-chloro-1H-indol-2-one (CID 132839204) is (3R)-3-anilino-3-benzyl-6-chloro-1H-indol-2-one.
What is the SMILES notation for (3R)-3-anilino-3-benzyl-6-chloro-1H-indol-2-one?
The canonical SMILES for (3R)-3-anilino-3-benzyl-6-chloro-1H-indol-2-one is O=C1Nc2cc(Cl)ccc2[C@@]1(Cc1ccccc1)Nc1ccccc1.
What is the InChIKey of (3R)-3-anilino-3-benzyl-6-chloro-1H-indol-2-one?
The InChIKey is YETREEQKINQQSR-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H17ClN2O/c22-16-11-12-18-19(13-16)23-20(25)21(18,14-15-7-3-1-4-8-15)24-17-9-5-2-6-10-17/h1-13,24H,14H2,(H,23,25)/t21-/m1/s1.
What are the key properties of (3R)-3-anilino-3-benzyl-6-chloro-1H-indol-2-one?
(3R)-3-anilino-3-benzyl-6-chloro-1H-indol-2-one has a molecular weight of 348.83 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-anilino-3-benzyl-6-chloro-1H-indol-2-one is sourced from PubChem (CID 132839204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).