[3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone

C23H20ClNO2 — CID 1002513

IUPAC[3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)c1cccc(COc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H20ClNO2/c1-16-13-18-6-2-3-8-22(18)25(16)23(26)19-7-4-5-17(14-19)15-27-21-11-9-20(24)10-12-21/h2-12,14,16H,13,15H2,1H3/t16-/m1/s1
InChIKeyVOTWRDRJPWNRTP-MRXNPFEDSA-N
MW377.87 g/mol
LogP5.51
Rot. Bonds4

About [3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone

[3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone (PubChem CID 1002513) has the molecular formula C23H20ClNO2 and a molecular weight of 377.87 g/mol. Its IUPAC name is [3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name[3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
PubChem CID1002513
Molecular FormulaC23H20ClNO2
Molecular Weight377.87 g/mol
Exact Mass377.12
IUPAC Name[3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)c1cccc(COc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H20ClNO2/c1-16-13-18-6-2-3-8-22(18)25(16)23(26)19-7-4-5-17(14-19)15-27-21-11-9-20(24)10-12-21/h2-12,14,16H,13,15H2,1H3/t16-/m1/s1
InChIKeyVOTWRDRJPWNRTP-MRXNPFEDSA-N
XLogP5.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.87
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone with MolForge

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Related Compounds

3-[[4-[4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]methyl]benzoic acid
CID 68921381
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 93487728
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2943863
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone
CID 737594
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 2127625
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 45148366
[3-(dimethylamino)phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176454
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109055314
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-phenylmethoxyanilino)ethanone
CID 2339721

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of [3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone (CID 1002513) is [3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for [3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for [3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone is C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(COc2ccc(Cl)cc2)c1.
What is the InChIKey of [3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The InChIKey is VOTWRDRJPWNRTP-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H20ClNO2/c1-16-13-18-6-2-3-8-22(18)25(16)23(26)19-7-4-5-17(14-19)15-27-21-11-9-20(24)10-12-21/h2-12,14,16H,13,15H2,1H3/t16-/m1/s1.
What are the key properties of [3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
[3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 377.87 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 1002513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).