(4-fluorophenyl)methyl 3-chloro-1H-indole-2-carboxylate

C16H11ClFNO2 — CID 46459571

IUPAC(4-fluorophenyl)methyl 3-chloro-1H-indole-2-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C16H11ClFNO2/c17-14-12-3-1-2-4-13(12)19-15(14)16(20)21-9-10-5-7-11(18)8-6-10/h1-8,19H,9H2
InChIKeyFPWOBWAOSHTLPW-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.32
Rot. Bonds3

About (4-fluorophenyl)methyl 3-chloro-1H-indole-2-carboxylate

(4-fluorophenyl)methyl 3-chloro-1H-indole-2-carboxylate (PubChem CID 46459571) has the molecular formula C16H11ClFNO2 and a molecular weight of 303.72 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 3-chloro-1H-indole-2-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 3-chloro-1H-indole-2-carboxylate
PubChem CID46459571
Molecular FormulaC16H11ClFNO2
Molecular Weight303.72 g/mol
Exact Mass303.05
IUPAC Name(4-fluorophenyl)methyl 3-chloro-1H-indole-2-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C16H11ClFNO2/c17-14-12-3-1-2-4-13(12)19-15(14)16(20)21-9-10-5-7-11(18)8-6-10/h1-8,19H,9H2
InChIKeyFPWOBWAOSHTLPW-UHFFFAOYSA-N
XLogP4.32
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)ethyl 3-chloro-1H-indole-2-carboxylate
CID 46459684
[2-(4-hydroxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 46459679
(3-fluorophenyl)methyl 3-bromo-1H-indole-2-carboxylate
CID 46459757
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 55703991
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 55703958
(4-fluorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279798
(4-fluorophenyl)methyl 1-hydroxynaphthalene-2-carboxylate
CID 957131
(4-chlorophenyl)methyl 1H-indazole-3-carboxylate
CID 2534607
benzyl 1-chloro-6-fluoro-9H-pyrido[3,4-b]indole-3-carboxylate
CID 170776316
9H-carbazole;2-(4-fluorophenyl)acetic acid
CID 175926186
ethyl 3-(2-fluorophenoxy)-1H-indole-2-carboxylate
CID 86224580
(4-fluorophenyl)methyl 3-chloropyridine-2-carboxylate
CID 150554414

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 3-chloro-1H-indole-2-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 3-chloro-1H-indole-2-carboxylate (CID 46459571) is (4-fluorophenyl)methyl 3-chloro-1H-indole-2-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 3-chloro-1H-indole-2-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 3-chloro-1H-indole-2-carboxylate is O=C(OCc1ccc(F)cc1)c1[nH]c2ccccc2c1Cl.
What is the InChIKey of (4-fluorophenyl)methyl 3-chloro-1H-indole-2-carboxylate?
The InChIKey is FPWOBWAOSHTLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2/c17-14-12-3-1-2-4-13(12)19-15(14)16(20)21-9-10-5-7-11(18)8-6-10/h1-8,19H,9H2.
What are the key properties of (4-fluorophenyl)methyl 3-chloro-1H-indole-2-carboxylate?
(4-fluorophenyl)methyl 3-chloro-1H-indole-2-carboxylate has a molecular weight of 303.72 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 3-chloro-1H-indole-2-carboxylate is sourced from PubChem (CID 46459571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).