N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-1-fluorocyclopropane-1-carboxamide

C15H16ClFN2O — CID 171517850

IUPACN-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-1-fluorocyclopropane-1-carboxamide
SMILESCCc1cc2[nH]c(CNC(=O)C3(F)CC3)cc2cc1Cl
InChIInChI=1S/C15H16ClFN2O/c1-2-9-7-13-10(6-12(9)16)5-11(19-13)8-18-14(20)15(17)3-4-15/h5-7,19H,2-4,8H2,1H3,(H,18,20)
InChIKeyQDBSKILHZIFOHD-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.50
Rot. Bonds4

About N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-1-fluorocyclopropane-1-carboxamide

N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-1-fluorocyclopropane-1-carboxamide (PubChem CID 171517850) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-1-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-1-fluorocyclopropane-1-carboxamide
PubChem CID171517850
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC NameN-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-1-fluorocyclopropane-1-carboxamide
SMILESCCc1cc2[nH]c(CNC(=O)C3(F)CC3)cc2cc1Cl
InChIInChI=1S/C15H16ClFN2O/c1-2-9-7-13-10(6-12(9)16)5-11(19-13)8-18-14(20)15(17)3-4-15/h5-7,19H,2-4,8H2,1H3,(H,18,20)
InChIKeyQDBSKILHZIFOHD-UHFFFAOYSA-N
XLogP3.50
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-1-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-1-fluorocyclopropane-1-carboxamide (CID 171517850) is N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-1-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-1-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-1-fluorocyclopropane-1-carboxamide is CCc1cc2[nH]c(CNC(=O)C3(F)CC3)cc2cc1Cl.
What is the InChIKey of N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-1-fluorocyclopropane-1-carboxamide?
The InChIKey is QDBSKILHZIFOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-2-9-7-13-10(6-12(9)16)5-11(19-13)8-18-14(20)15(17)3-4-15/h5-7,19H,2-4,8H2,1H3,(H,18,20).
What are the key properties of N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-1-fluorocyclopropane-1-carboxamide?
N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-1-fluorocyclopropane-1-carboxamide has a molecular weight of 294.76 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-1-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 171517850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).