5-fluoro-N-[3-(hydroxymethyl)phenyl]-3-phenyl-1H-indole-2-carboxamide

C22H17FN2O2 — CID 21014413

IUPAC5-fluoro-N-[3-(hydroxymethyl)phenyl]-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1[nH]c2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/C22H17FN2O2/c23-16-9-10-19-18(12-16)20(15-6-2-1-3-7-15)21(25-19)22(27)24-17-8-4-5-14(11-17)13-26/h1-12,25-26H,13H2,(H,24,27)
InChIKeyDRYVGOBWVIODEV-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.72
Rot. Bonds4

About 5-fluoro-N-[3-(hydroxymethyl)phenyl]-3-phenyl-1H-indole-2-carboxamide

5-fluoro-N-[3-(hydroxymethyl)phenyl]-3-phenyl-1H-indole-2-carboxamide (PubChem CID 21014413) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 5-fluoro-N-[3-(hydroxymethyl)phenyl]-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[3-(hydroxymethyl)phenyl]-3-phenyl-1H-indole-2-carboxamide
PubChem CID21014413
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name5-fluoro-N-[3-(hydroxymethyl)phenyl]-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1[nH]c2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/C22H17FN2O2/c23-16-9-10-19-18(12-16)20(15-6-2-1-3-7-15)21(25-19)22(27)24-17-8-4-5-14(11-17)13-26/h1-12,25-26H,13H2,(H,24,27)
InChIKeyDRYVGOBWVIODEV-UHFFFAOYSA-N
XLogP4.72
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-(hydroxymethyl)phenyl]-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[3-(hydroxymethyl)phenyl]-3-phenyl-1H-indole-2-carboxamide (CID 21014413) is 5-fluoro-N-[3-(hydroxymethyl)phenyl]-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[3-(hydroxymethyl)phenyl]-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[3-(hydroxymethyl)phenyl]-3-phenyl-1H-indole-2-carboxamide is O=C(Nc1cccc(CO)c1)c1[nH]c2ccc(F)cc2c1-c1ccccc1.
What is the InChIKey of 5-fluoro-N-[3-(hydroxymethyl)phenyl]-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is DRYVGOBWVIODEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c23-16-9-10-19-18(12-16)20(15-6-2-1-3-7-15)21(25-19)22(27)24-17-8-4-5-14(11-17)13-26/h1-12,25-26H,13H2,(H,24,27).
What are the key properties of 5-fluoro-N-[3-(hydroxymethyl)phenyl]-3-phenyl-1H-indole-2-carboxamide?
5-fluoro-N-[3-(hydroxymethyl)phenyl]-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 4.72, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[3-(hydroxymethyl)phenyl]-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 21014413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).