N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3,5-bis(hydroxymethyl)benzamide

C19H19FN2O3 — CID 167960853

IUPACN-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3,5-bis(hydroxymethyl)benzamide
SMILESO=C(NCCc1c[nH]c2cccc(F)c12)c1cc(CO)cc(CO)c1
InChIInChI=1S/C19H19FN2O3/c20-16-2-1-3-17-18(16)14(9-22-17)4-5-21-19(25)15-7-12(10-23)6-13(8-15)11-24/h1-3,6-9,22-24H,4-5,10-11H2,(H,21,25)
InChIKeyPVIJUUWHCFGISU-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.26
Rot. Bonds6

About N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3,5-bis(hydroxymethyl)benzamide

N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3,5-bis(hydroxymethyl)benzamide (PubChem CID 167960853) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3,5-bis(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3,5-bis(hydroxymethyl)benzamide
PubChem CID167960853
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3,5-bis(hydroxymethyl)benzamide
SMILESO=C(NCCc1c[nH]c2cccc(F)c12)c1cc(CO)cc(CO)c1
InChIInChI=1S/C19H19FN2O3/c20-16-2-1-3-17-18(16)14(9-22-17)4-5-21-19(25)15-7-12(10-23)6-13(8-15)11-24/h1-3,6-9,22-24H,4-5,10-11H2,(H,21,25)
InChIKeyPVIJUUWHCFGISU-UHFFFAOYSA-N
XLogP2.26
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)benzamide
CID 167764059
3-[2-(4-fluoro-1H-indol-3-yl)ethyl]-1-(3-hydroxycyclobutyl)-1-methylurea
CID 167820299
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-fluorophenyl)methyl]benzamide
CID 86699424
2-(4-fluoro-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 110850476
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide
CID 67974203
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 82179549
N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
CID 167831605
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluoro-1H-indol-3-yl)acetamide
CID 110851708
N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
CID 51200340
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
5-fluoro-2-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 175363337

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3,5-bis(hydroxymethyl)benzamide?
The IUPAC name of N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3,5-bis(hydroxymethyl)benzamide (CID 167960853) is N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3,5-bis(hydroxymethyl)benzamide.
What is the SMILES notation for N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3,5-bis(hydroxymethyl)benzamide?
The canonical SMILES for N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3,5-bis(hydroxymethyl)benzamide is O=C(NCCc1c[nH]c2cccc(F)c12)c1cc(CO)cc(CO)c1.
What is the InChIKey of N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3,5-bis(hydroxymethyl)benzamide?
The InChIKey is PVIJUUWHCFGISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-16-2-1-3-17-18(16)14(9-22-17)4-5-21-19(25)15-7-12(10-23)6-13(8-15)11-24/h1-3,6-9,22-24H,4-5,10-11H2,(H,21,25).
What are the key properties of N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3,5-bis(hydroxymethyl)benzamide?
N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3,5-bis(hydroxymethyl)benzamide has a molecular weight of 342.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3,5-bis(hydroxymethyl)benzamide is sourced from PubChem (CID 167960853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).