N-[(5-chloro-6-ethyl-4-fluoro-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide

C16H18ClFN2O — CID 171518646

IUPACN-[(5-chloro-6-ethyl-4-fluoro-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
SMILESCCc1cc2[nH]c(CNC(=O)C3(C)CC3)cc2c(F)c1Cl
InChIInChI=1S/C16H18ClFN2O/c1-3-9-6-12-11(14(18)13(9)17)7-10(20-12)8-19-15(21)16(2)4-5-16/h6-7,20H,3-5,8H2,1-2H3,(H,19,21)
InChIKeyATRCYQNMOQFHPP-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.94
Rot. Bonds4

About N-[(5-chloro-6-ethyl-4-fluoro-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide

N-[(5-chloro-6-ethyl-4-fluoro-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 171518646) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is N-[(5-chloro-6-ethyl-4-fluoro-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-6-ethyl-4-fluoro-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID171518646
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC NameN-[(5-chloro-6-ethyl-4-fluoro-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
SMILESCCc1cc2[nH]c(CNC(=O)C3(C)CC3)cc2c(F)c1Cl
InChIInChI=1S/C16H18ClFN2O/c1-3-9-6-12-11(14(18)13(9)17)7-10(20-12)8-19-15(21)16(2)4-5-16/h6-7,20H,3-5,8H2,1-2H3,(H,19,21)
InChIKeyATRCYQNMOQFHPP-UHFFFAOYSA-N
XLogP3.94
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 53.94
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-4-fluoro-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(5-chloro-6-ethyl-4-fluoro-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide (CID 171518646) is N-[(5-chloro-6-ethyl-4-fluoro-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(5-chloro-6-ethyl-4-fluoro-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(5-chloro-6-ethyl-4-fluoro-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide is CCc1cc2[nH]c(CNC(=O)C3(C)CC3)cc2c(F)c1Cl.
What is the InChIKey of N-[(5-chloro-6-ethyl-4-fluoro-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is ATRCYQNMOQFHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-3-9-6-12-11(14(18)13(9)17)7-10(20-12)8-19-15(21)16(2)4-5-16/h6-7,20H,3-5,8H2,1-2H3,(H,19,21).
What are the key properties of N-[(5-chloro-6-ethyl-4-fluoro-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
N-[(5-chloro-6-ethyl-4-fluoro-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 308.78 g/mol, XLogP of 3.94, 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-4-fluoro-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 171518646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).