(3R)-3-anilino-3-[(4-methylphenyl)methyl]-1H-indol-2-one

C22H20N2O — CID 132839196

IUPAC(3R)-3-anilino-3-[(4-methylphenyl)methyl]-1H-indol-2-one
SMILESCc1ccc(C[C@]2(Nc3ccccc3)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C22H20N2O/c1-16-11-13-17(14-12-16)15-22(24-18-7-3-2-4-8-18)19-9-5-6-10-20(19)23-21(22)25/h2-14,24H,15H2,1H3,(H,23,25)/t22-/m1/s1
InChIKeyVTTGEVSFPXGTAR-JOCHJYFZSA-N
MW328.42 g/mol
LogP4.50
Rot. Bonds4

About (3R)-3-anilino-3-[(4-methylphenyl)methyl]-1H-indol-2-one

(3R)-3-anilino-3-[(4-methylphenyl)methyl]-1H-indol-2-one (PubChem CID 132839196) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is (3R)-3-anilino-3-[(4-methylphenyl)methyl]-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-anilino-3-[(4-methylphenyl)methyl]-1H-indol-2-one
PubChem CID132839196
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name(3R)-3-anilino-3-[(4-methylphenyl)methyl]-1H-indol-2-one
SMILESCc1ccc(C[C@]2(Nc3ccccc3)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C22H20N2O/c1-16-11-13-17(14-12-16)15-22(24-18-7-3-2-4-8-18)19-9-5-6-10-20(19)23-21(22)25/h2-14,24H,15H2,1H3,(H,23,25)/t22-/m1/s1
InChIKeyVTTGEVSFPXGTAR-JOCHJYFZSA-N
XLogP4.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-[(4-methylphenyl)methyl]-1H-indol-2-one
CID 126469346
(3R)-3-anilino-3-benzyl-6-chloro-1H-indol-2-one
CID 132839204
2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-1H-indol-3-yl]acetic acid
CID 22013003
(3R)-3-benzyl-3-hydroxy-1H-indol-2-one
CID 139192718
3-(4-methoxyanilino)-3-(2-methylprop-2-enyl)-1H-indol-2-one
CID 46845599
3-but-2-ynyl-3-(4-methoxyanilino)-1H-indol-2-one
CID 46845466
3-ethyl-3-(phenylmethoxyamino)-1H-indol-2-one
CID 86047957
(3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one
CID 102419415
propan-2-yl N-[(3S)-3-[(4-methylphenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate
CID 101490760
3-[(4-bromophenyl)methyl]-3-fluoro-1H-indol-2-one
CID 71619697
methanamine;spiro[1H-indole-3,3'-azanidacyclobutane]-2-one;yttrium
CID 176955340
3-azido-3-benzyl-1H-indol-2-one
CID 170607134

Frequently Asked Questions

What is the IUPAC name of (3R)-3-anilino-3-[(4-methylphenyl)methyl]-1H-indol-2-one?
The IUPAC name of (3R)-3-anilino-3-[(4-methylphenyl)methyl]-1H-indol-2-one (CID 132839196) is (3R)-3-anilino-3-[(4-methylphenyl)methyl]-1H-indol-2-one.
What is the SMILES notation for (3R)-3-anilino-3-[(4-methylphenyl)methyl]-1H-indol-2-one?
The canonical SMILES for (3R)-3-anilino-3-[(4-methylphenyl)methyl]-1H-indol-2-one is Cc1ccc(C[C@]2(Nc3ccccc3)C(=O)Nc3ccccc32)cc1.
What is the InChIKey of (3R)-3-anilino-3-[(4-methylphenyl)methyl]-1H-indol-2-one?
The InChIKey is VTTGEVSFPXGTAR-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H20N2O/c1-16-11-13-17(14-12-16)15-22(24-18-7-3-2-4-8-18)19-9-5-6-10-20(19)23-21(22)25/h2-14,24H,15H2,1H3,(H,23,25)/t22-/m1/s1.
What are the key properties of (3R)-3-anilino-3-[(4-methylphenyl)methyl]-1H-indol-2-one?
(3R)-3-anilino-3-[(4-methylphenyl)methyl]-1H-indol-2-one has a molecular weight of 328.42 g/mol, XLogP of 4.50, 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-[(4-methylphenyl)methyl]-1H-indol-2-one is sourced from PubChem (CID 132839196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).