N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide

C15H17FN2O — CID 113085017

IUPACN-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide
SMILESCCC(=O)NCC1(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C15H17FN2O/c1-2-14(19)18-9-15(5-6-15)12-8-17-13-4-3-10(16)7-11(12)13/h3-4,7-8,17H,2,5-6,9H2,1H3,(H,18,19)
InChIKeyDTGDHKUHOMYYJT-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.86
Rot. Bonds4

About N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide

N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide (PubChem CID 113085017) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide
PubChem CID113085017
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide
SMILESCCC(=O)NCC1(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C15H17FN2O/c1-2-14(19)18-9-15(5-6-15)12-8-17-13-4-3-10(16)7-11(12)13/h3-4,7-8,17H,2,5-6,9H2,1H3,(H,18,19)
InChIKeyDTGDHKUHOMYYJT-UHFFFAOYSA-N
XLogP2.86
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide
CID 113085086
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide
CID 113085087
4-bromo-N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085038
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide
CID 113084659
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085321
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylpropanamide
CID 113085126
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide
CID 113085133
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide
CID 113085349
N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210646
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide
CID 113085336
N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 113085260
N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210681

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide?
The IUPAC name of N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide (CID 113085017) is N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide?
The canonical SMILES for N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide is CCC(=O)NCC1(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide?
The InChIKey is DTGDHKUHOMYYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-2-14(19)18-9-15(5-6-15)12-8-17-13-4-3-10(16)7-11(12)13/h3-4,7-8,17H,2,5-6,9H2,1H3,(H,18,19).
What are the key properties of N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide?
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide has a molecular weight of 260.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 113085017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).