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

C15H17FN2O — CID 171518744

IUPACN-[(4-fluoro-6-methyl-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
SMILESCc1cc(F)c2cc(CNC(=O)C3(C)CC3)[nH]c2c1
InChIInChI=1S/C15H17FN2O/c1-9-5-12(16)11-7-10(18-13(11)6-9)8-17-14(19)15(2)3-4-15/h5-7,18H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyKSKAADVGXZQNBY-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.03
Rot. Bonds3

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

N-[(4-fluoro-6-methyl-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 171518744) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[(4-fluoro-6-methyl-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-6-methyl-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID171518744
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-[(4-fluoro-6-methyl-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
SMILESCc1cc(F)c2cc(CNC(=O)C3(C)CC3)[nH]c2c1
InChIInChI=1S/C15H17FN2O/c1-9-5-12(16)11-7-10(18-13(11)6-9)8-17-14(19)15(2)3-4-15/h5-7,18H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyKSKAADVGXZQNBY-UHFFFAOYSA-N
XLogP3.03
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 171517883
N-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519678
N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518927
1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171517859
N-[[6-[(Z)-2,3-diaminoprop-2-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519355
N-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethenyl]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 174242736
1-methyl-N-[[6-[(E)-2-(5-methyl-1,2-oxazol-3-yl)prop-1-enyl]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171519749
N-[[6-[(Z)-4-amino-2-oxobut-3-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519150
N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 171731904
1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171518196
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide
CID 106827402
N-[[5-chloro-6-(1,3-thiazol-4-ylmethylamino)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518941

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-6-methyl-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(4-fluoro-6-methyl-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide (CID 171518744) is N-[(4-fluoro-6-methyl-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-fluoro-6-methyl-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-fluoro-6-methyl-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide is Cc1cc(F)c2cc(CNC(=O)C3(C)CC3)[nH]c2c1.
What is the InChIKey of N-[(4-fluoro-6-methyl-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is KSKAADVGXZQNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-9-5-12(16)11-7-10(18-13(11)6-9)8-17-14(19)15(2)3-4-15/h5-7,18H,3-4,8H2,1-2H3,(H,17,19).
What are the key properties of N-[(4-fluoro-6-methyl-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
N-[(4-fluoro-6-methyl-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 260.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-6-methyl-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 171518744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).