N-[(6-ethyl-5-fluoro-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide

C16H19FN2O2 — CID 171518398

IUPACN-[(6-ethyl-5-fluoro-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESCCc1cc2[nH]c(CNC(=O)C3(CO)CC3)cc2cc1F
InChIInChI=1S/C16H19FN2O2/c1-2-10-7-14-11(6-13(10)17)5-12(19-14)8-18-15(21)16(9-20)3-4-16/h5-7,19-20H,2-4,8-9H2,1H3,(H,18,21)
InChIKeyKOQCIZLTWFUMNH-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.26
Rot. Bonds5

About N-[(6-ethyl-5-fluoro-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide

N-[(6-ethyl-5-fluoro-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (PubChem CID 171518398) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[(6-ethyl-5-fluoro-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(6-ethyl-5-fluoro-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
PubChem CID171518398
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-[(6-ethyl-5-fluoro-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESCCc1cc2[nH]c(CNC(=O)C3(CO)CC3)cc2cc1F
InChIInChI=1S/C16H19FN2O2/c1-2-10-7-14-11(6-13(10)17)5-12(19-14)8-18-15(21)16(9-20)3-4-16/h5-7,19-20H,2-4,8-9H2,1H3,(H,18,21)
InChIKeyKOQCIZLTWFUMNH-UHFFFAOYSA-N
XLogP2.26
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(6-ethyl-5-fluoro-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(6-ethyl-5-fluoro-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (CID 171518398) is N-[(6-ethyl-5-fluoro-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(6-ethyl-5-fluoro-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(6-ethyl-5-fluoro-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is CCc1cc2[nH]c(CNC(=O)C3(CO)CC3)cc2cc1F.
What is the InChIKey of N-[(6-ethyl-5-fluoro-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The InChIKey is KOQCIZLTWFUMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-2-10-7-14-11(6-13(10)17)5-12(19-14)8-18-15(21)16(9-20)3-4-16/h5-7,19-20H,2-4,8-9H2,1H3,(H,18,21).
What are the key properties of N-[(6-ethyl-5-fluoro-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
N-[(6-ethyl-5-fluoro-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethyl-5-fluoro-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171518398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).