5-chloro-N-[4-(1,2-dihydroxyethyl)-2-fluorophenyl]-1H-indole-2-carboxamide

C17H14ClFN2O3 — CID 44520836

IUPAC5-chloro-N-[4-(1,2-dihydroxyethyl)-2-fluorophenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(C(O)CO)cc1F)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C17H14ClFN2O3/c18-11-2-4-13-10(5-11)7-15(20-13)17(24)21-14-3-1-9(6-12(14)19)16(23)8-22/h1-7,16,20,22-23H,8H2,(H,21,24)
InChIKeyFMOKPOYDECTYFQ-UHFFFAOYSA-N
MW348.76 g/mol
LogP3.24
Rot. Bonds4

About 5-chloro-N-[4-(1,2-dihydroxyethyl)-2-fluorophenyl]-1H-indole-2-carboxamide

5-chloro-N-[4-(1,2-dihydroxyethyl)-2-fluorophenyl]-1H-indole-2-carboxamide (PubChem CID 44520836) has the molecular formula C17H14ClFN2O3 and a molecular weight of 348.76 g/mol. Its IUPAC name is 5-chloro-N-[4-(1,2-dihydroxyethyl)-2-fluorophenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(1,2-dihydroxyethyl)-2-fluorophenyl]-1H-indole-2-carboxamide
PubChem CID44520836
Molecular FormulaC17H14ClFN2O3
Molecular Weight348.76 g/mol
Exact Mass348.07
IUPAC Name5-chloro-N-[4-(1,2-dihydroxyethyl)-2-fluorophenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(C(O)CO)cc1F)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C17H14ClFN2O3/c18-11-2-4-13-10(5-11)7-15(20-13)17(24)21-14-3-1-9(6-12(14)19)16(23)8-22/h1-7,16,20,22-23H,8H2,(H,21,24)
InChIKeyFMOKPOYDECTYFQ-UHFFFAOYSA-N
XLogP3.24
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(1,2-dihydroxyethyl)-2-fluorophenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(1,2-dihydroxyethyl)-2-fluorophenyl]-1H-indole-2-carboxamide (CID 44520836) is 5-chloro-N-[4-(1,2-dihydroxyethyl)-2-fluorophenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(1,2-dihydroxyethyl)-2-fluorophenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(1,2-dihydroxyethyl)-2-fluorophenyl]-1H-indole-2-carboxamide is O=C(Nc1ccc(C(O)CO)cc1F)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[4-(1,2-dihydroxyethyl)-2-fluorophenyl]-1H-indole-2-carboxamide?
The InChIKey is FMOKPOYDECTYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O3/c18-11-2-4-13-10(5-11)7-15(20-13)17(24)21-14-3-1-9(6-12(14)19)16(23)8-22/h1-7,16,20,22-23H,8H2,(H,21,24).
What are the key properties of 5-chloro-N-[4-(1,2-dihydroxyethyl)-2-fluorophenyl]-1H-indole-2-carboxamide?
5-chloro-N-[4-(1,2-dihydroxyethyl)-2-fluorophenyl]-1H-indole-2-carboxamide has a molecular weight of 348.76 g/mol, XLogP of 3.24, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(1,2-dihydroxyethyl)-2-fluorophenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 44520836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).