(3R)-1'-benzyl-4',6'-difluoro-2-phenylspiro[1,2-oxazolidine-3,3'-indole]-2',5-dione

C23H16F2N2O3 — CID 134851135

IUPAC(3R)-1'-benzyl-4',6'-difluoro-2-phenylspiro[1,2-oxazolidine-3,3'-indole]-2',5-dione
SMILESO=C1C[C@@]2(C(=O)N(Cc3ccccc3)c3cc(F)cc(F)c32)N(c2ccccc2)O1
InChIInChI=1S/C23H16F2N2O3/c24-16-11-18(25)21-19(12-16)26(14-15-7-3-1-4-8-15)22(29)23(21)13-20(28)30-27(23)17-9-5-2-6-10-17/h1-12H,13-14H2/t23-/m1/s1
InChIKeyMREXRXKMNHTFFL-HSZRJFAPSA-N
MW406.39 g/mol
LogP4.08
Rot. Bonds3

About (3R)-1'-benzyl-4',6'-difluoro-2-phenylspiro[1,2-oxazolidine-3,3'-indole]-2',5-dione

(3R)-1'-benzyl-4',6'-difluoro-2-phenylspiro[1,2-oxazolidine-3,3'-indole]-2',5-dione (PubChem CID 134851135) has the molecular formula C23H16F2N2O3 and a molecular weight of 406.39 g/mol. Its IUPAC name is (3R)-1'-benzyl-4',6'-difluoro-2-phenylspiro[1,2-oxazolidine-3,3'-indole]-2',5-dione.

Molecular Properties

Compound Name(3R)-1'-benzyl-4',6'-difluoro-2-phenylspiro[1,2-oxazolidine-3,3'-indole]-2',5-dione
PubChem CID134851135
Molecular FormulaC23H16F2N2O3
Molecular Weight406.39 g/mol
Exact Mass406.11
IUPAC Name(3R)-1'-benzyl-4',6'-difluoro-2-phenylspiro[1,2-oxazolidine-3,3'-indole]-2',5-dione
SMILESO=C1C[C@@]2(C(=O)N(Cc3ccccc3)c3cc(F)cc(F)c32)N(c2ccccc2)O1
InChIInChI=1S/C23H16F2N2O3/c24-16-11-18(25)21-19(12-16)26(14-15-7-3-1-4-8-15)22(29)23(21)13-20(28)30-27(23)17-9-5-2-6-10-17/h1-12H,13-14H2/t23-/m1/s1
InChIKeyMREXRXKMNHTFFL-HSZRJFAPSA-N
XLogP4.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-1'-benzyl-4',6'-difluoro-2-phenylspiro[1,2-oxazolidine-3,3'-indole]-2',5-dione with MolForge

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Related Compounds

methyl (3S,3'R,5'S)-1'-benzoyl-5-fluoro-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxylate
CID 137658107
diethyl (2R)-7-fluoro-1'-methyl-2'-oxospiro[1H-indole-2,3'-indole]-3,3-dicarboxylate
CID 135027472
CID 135034209
CID 135034209
methyl (2'R,3S,3'S,4'S)-5-fluoro-1,4'-dimethyl-2-oxo-2'-phenylspiro[indole-3,5'-pyrrolidine]-3'-carboxylate
CID 138967188
methyl (2'R,3S,3'S,4'S)-2'-(4-fluorophenyl)-1,4'-dimethyl-2-oxospiro[indole-3,5'-pyrrolidine]-3'-carboxylate
CID 138967199
Methyl 4'-(4-fluorophenyl)-1'-methyl-3'-nitromethyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate
CID 139085117
ethyl (3R,4S,5R)-3-(difluoromethyl)-2'-oxo-1'-phenylspiro[3,4-dihydropyrazole-5,3'-indole]-4-carboxylate
CID 139193010
ethyl (3'S,4'S,5'S)-1-benzyl-3'-cyano-2-oxo-4'-phenyl-5'-(trifluoromethyl)spiro[indole-3,2'-pyrrolidine]-3'-carboxylate
CID 166449148
Ethyl 1-benzyl-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carboxylate
CID 20967178
methyl 1'-benzyl-5'-fluoro-1-[(E)-3-methoxy-3-oxoprop-1-enyl]-5-methyl-2'-oxospiro[5,6,7,8-tetrahydropyrrolizine-3,3'-indole]-2-carboxylate
CID 141510238
(3S,4'R)-1-benzyl-4'-phenyl-1'-(2,2,2-trifluoroethyl)spiro[indole-3,5'-pyrrolidine]-2,2'-dione
CID 164521989
2-[(3R)-1-benzyl-3-[(3-fluorophenyl)methyl]-2-oxoindol-3-yl]acetic acid
CID 175312123

Frequently Asked Questions

What is the IUPAC name of (3R)-1'-benzyl-4',6'-difluoro-2-phenylspiro[1,2-oxazolidine-3,3'-indole]-2',5-dione?
The IUPAC name of (3R)-1'-benzyl-4',6'-difluoro-2-phenylspiro[1,2-oxazolidine-3,3'-indole]-2',5-dione (CID 134851135) is (3R)-1'-benzyl-4',6'-difluoro-2-phenylspiro[1,2-oxazolidine-3,3'-indole]-2',5-dione.
What is the SMILES notation for (3R)-1'-benzyl-4',6'-difluoro-2-phenylspiro[1,2-oxazolidine-3,3'-indole]-2',5-dione?
The canonical SMILES for (3R)-1'-benzyl-4',6'-difluoro-2-phenylspiro[1,2-oxazolidine-3,3'-indole]-2',5-dione is O=C1C[C@@]2(C(=O)N(Cc3ccccc3)c3cc(F)cc(F)c32)N(c2ccccc2)O1.
What is the InChIKey of (3R)-1'-benzyl-4',6'-difluoro-2-phenylspiro[1,2-oxazolidine-3,3'-indole]-2',5-dione?
The InChIKey is MREXRXKMNHTFFL-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H16F2N2O3/c24-16-11-18(25)21-19(12-16)26(14-15-7-3-1-4-8-15)22(29)23(21)13-20(28)30-27(23)17-9-5-2-6-10-17/h1-12H,13-14H2/t23-/m1/s1.
What are the key properties of (3R)-1'-benzyl-4',6'-difluoro-2-phenylspiro[1,2-oxazolidine-3,3'-indole]-2',5-dione?
(3R)-1'-benzyl-4',6'-difluoro-2-phenylspiro[1,2-oxazolidine-3,3'-indole]-2',5-dione has a molecular weight of 406.39 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-benzyl-4',6'-difluoro-2-phenylspiro[1,2-oxazolidine-3,3'-indole]-2',5-dione is sourced from PubChem (CID 134851135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).