[2-[(4-chlorophenyl)methoxy]phenyl]-(2,3-dihydroindol-1-yl)methanone

C22H18ClNO2 — CID 18205239

IUPAC[2-[(4-chlorophenyl)methoxy]phenyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCc2ccccc21
InChIInChI=1S/C22H18ClNO2/c23-18-11-9-16(10-12-18)15-26-21-8-4-2-6-19(21)22(25)24-14-13-17-5-1-3-7-20(17)24/h1-12H,13-15H2
InChIKeySZPWPMONLMWLQA-UHFFFAOYSA-N
MW363.84 g/mol
LogP5.12
Rot. Bonds4

About [2-[(4-chlorophenyl)methoxy]phenyl]-(2,3-dihydroindol-1-yl)methanone

[2-[(4-chlorophenyl)methoxy]phenyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 18205239) has the molecular formula C22H18ClNO2 and a molecular weight of 363.84 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methoxy]phenyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methoxy]phenyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID18205239
Molecular FormulaC22H18ClNO2
Molecular Weight363.84 g/mol
Exact Mass363.10
IUPAC Name[2-[(4-chlorophenyl)methoxy]phenyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCc2ccccc21
InChIInChI=1S/C22H18ClNO2/c23-18-11-9-16(10-12-18)15-26-21-8-4-2-6-19(21)22(25)24-14-13-17-5-1-3-7-20(17)24/h1-12H,13-15H2
InChIKeySZPWPMONLMWLQA-UHFFFAOYSA-N
XLogP5.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.84
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydroindol-1-yl-(2-phenylmethoxyphenyl)methanone
CID 4946349
[2-[(4-chlorophenyl)methoxy]phenyl]-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
CID 122177129
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
[2-[(4-chlorophenyl)methoxy]phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561822
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
[(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 119411536
3,4-dihydro-2H-quinolin-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone
CID 4954325
1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 119354683
(2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16795435
1-[2-[(4-chlorophenyl)methoxy]phenyl]-2-hydroxyethanone
CID 141334810
[2-[(4-chlorophenyl)methoxy]phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545027
1-[(4-chlorophenyl)methyl]-5-(2,3-dihydroindole-1-carbonyl)pyridin-2-one
CID 26843891

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methoxy]phenyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-[(4-chlorophenyl)methoxy]phenyl]-(2,3-dihydroindol-1-yl)methanone (CID 18205239) is [2-[(4-chlorophenyl)methoxy]phenyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-[(4-chlorophenyl)methoxy]phenyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-[(4-chlorophenyl)methoxy]phenyl]-(2,3-dihydroindol-1-yl)methanone is O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCc2ccccc21.
What is the InChIKey of [2-[(4-chlorophenyl)methoxy]phenyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is SZPWPMONLMWLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO2/c23-18-11-9-16(10-12-18)15-26-21-8-4-2-6-19(21)22(25)24-14-13-17-5-1-3-7-20(17)24/h1-12H,13-15H2.
What are the key properties of [2-[(4-chlorophenyl)methoxy]phenyl]-(2,3-dihydroindol-1-yl)methanone?
[2-[(4-chlorophenyl)methoxy]phenyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 363.84 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methoxy]phenyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 18205239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).