ethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate

C17H14ClNO2 — CID 171663092

IUPACethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(-c3ccc(Cl)cc3)c2[nH]1
InChIInChI=1S/C17H14ClNO2/c1-2-21-17(20)15-10-12-4-3-5-14(16(12)19-15)11-6-8-13(18)9-7-11/h3-10,19H,2H2,1H3
InChIKeyGPQCMZDXKQJIRM-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.66
Rot. Bonds3

About ethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate

ethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate (PubChem CID 171663092) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is ethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate
PubChem CID171663092
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Nameethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(-c3ccc(Cl)cc3)c2[nH]1
InChIInChI=1S/C17H14ClNO2/c1-2-21-17(20)15-10-12-4-3-5-14(16(12)19-15)11-6-8-13(18)9-7-11/h3-10,19H,2H2,1H3
InChIKeyGPQCMZDXKQJIRM-UHFFFAOYSA-N
XLogP4.66
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate
CID 142425833
ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155
acetyl chloride;ethyl 7-acetyl-1H-indole-2-carboxylate
CID 161410841
ethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate
CID 171663080
ethyl 4-(4-chlorophenyl)-3H-pyrrolo[2,3-c]quinoline-2-carboxylate
CID 11131891
ethyl 7-prop-2-enyl-1H-indole-2-carboxylate
CID 10398931
ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate
CID 19042831
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
ethyl 3-(4-chlorophenyl)-2-phenyl-4H-pyrrolo[3,2-c]pyrazole-5-carboxylate
CID 136880016
diethyl 2-(2-chlorophenyl)-5-(4-chlorophenyl)benzene-1,4-dicarboxylate
CID 138461804
ethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate
CID 86612303
7-(2-phenylphenyl)-1H-indole-2-carboxylic acid
CID 169084287

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate (CID 171663092) is ethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate is CCOC(=O)c1cc2cccc(-c3ccc(Cl)cc3)c2[nH]1.
What is the InChIKey of ethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate?
The InChIKey is GPQCMZDXKQJIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-2-21-17(20)15-10-12-4-3-5-14(16(12)19-15)11-6-8-13(18)9-7-11/h3-10,19H,2H2,1H3.
What are the key properties of ethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate?
ethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate has a molecular weight of 299.76 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate is sourced from PubChem (CID 171663092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).