(1-phenylindol-3-yl) 3-chlorobenzoate

C21H14ClNO2 — CID 70516219

IUPAC(1-phenylindol-3-yl) 3-chlorobenzoate
SMILESO=C(Oc1cn(-c2ccccc2)c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C21H14ClNO2/c22-16-8-6-7-15(13-16)21(24)25-20-14-23(17-9-2-1-3-10-17)19-12-5-4-11-18(19)20/h1-14H
InChIKeyHGGDUJKNMCCHQL-UHFFFAOYSA-N
MW347.80 g/mol
LogP5.50
Rot. Bonds3

About (1-phenylindol-3-yl) 3-chlorobenzoate

(1-phenylindol-3-yl) 3-chlorobenzoate (PubChem CID 70516219) has the molecular formula C21H14ClNO2 and a molecular weight of 347.80 g/mol. Its IUPAC name is (1-phenylindol-3-yl) 3-chlorobenzoate.

Molecular Properties

Compound Name(1-phenylindol-3-yl) 3-chlorobenzoate
PubChem CID70516219
Molecular FormulaC21H14ClNO2
Molecular Weight347.80 g/mol
Exact Mass347.07
IUPAC Name(1-phenylindol-3-yl) 3-chlorobenzoate
SMILESO=C(Oc1cn(-c2ccccc2)c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C21H14ClNO2/c22-16-8-6-7-15(13-16)21(24)25-20-14-23(17-9-2-1-3-10-17)19-12-5-4-11-18(19)20/h1-14H
InChIKeyHGGDUJKNMCCHQL-UHFFFAOYSA-N
XLogP5.50
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.80
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxyphenyl) 3-chlorobenzoate
CID 4525221
(2,4-dichlorophenyl) 3-chlorobenzoate
CID 23011226
(6-oxo-1-phenylpyridazin-3-yl) 3-chlorobenzoate
CID 1472472
3-(3-chlorobenzoyl)oxynaphthalene-2-carboxylic acid
CID 2818675
benzoyl 3-chlorobenzenecarboperoxoate
CID 174735202
(4-phenylphenyl) 3-chlorobenzoate
CID 7313882
(3-chlorophenyl) 3-chlorobenzoate
CID 15128068
[8,9-bis[(3-chlorobenzoyl)oxy]anthracen-1-yl] 3-chlorobenzoate
CID 21455213
[2-(2-oxopropyl)phenyl] 3-chlorobenzoate
CID 687479
(2-acetamidophenyl) 3-chlorobenzoate
CID 23011243
(2-nitrophenyl) 3-chlorobenzoate
CID 836200
(4-chlorophenyl) 3-chlorobenzoate
CID 23011218

Frequently Asked Questions

What is the IUPAC name of (1-phenylindol-3-yl) 3-chlorobenzoate?
The IUPAC name of (1-phenylindol-3-yl) 3-chlorobenzoate (CID 70516219) is (1-phenylindol-3-yl) 3-chlorobenzoate.
What is the SMILES notation for (1-phenylindol-3-yl) 3-chlorobenzoate?
The canonical SMILES for (1-phenylindol-3-yl) 3-chlorobenzoate is O=C(Oc1cn(-c2ccccc2)c2ccccc12)c1cccc(Cl)c1.
What is the InChIKey of (1-phenylindol-3-yl) 3-chlorobenzoate?
The InChIKey is HGGDUJKNMCCHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO2/c22-16-8-6-7-15(13-16)21(24)25-20-14-23(17-9-2-1-3-10-17)19-12-5-4-11-18(19)20/h1-14H.
What are the key properties of (1-phenylindol-3-yl) 3-chlorobenzoate?
(1-phenylindol-3-yl) 3-chlorobenzoate has a molecular weight of 347.80 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylindol-3-yl) 3-chlorobenzoate is sourced from PubChem (CID 70516219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).