N-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]cyclopropanecarboxamide

C14H15FN2O — CID 54966575

IUPACN-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]cyclopropanecarboxamide
SMILESNCC#Cc1ccc(F)c(CNC(=O)C2CC2)c1
InChIInChI=1S/C14H15FN2O/c15-13-6-3-10(2-1-7-16)8-12(13)9-17-14(18)11-4-5-11/h3,6,8,11H,4-5,7,9,16H2,(H,17,18)
InChIKeyOSJDXLXBDSUICI-UHFFFAOYSA-N
MW246.28 g/mol
LogP1.16
Rot. Bonds3

About N-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]cyclopropanecarboxamide

N-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]cyclopropanecarboxamide (PubChem CID 54966575) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is N-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]cyclopropanecarboxamide
PubChem CID54966575
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC NameN-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]cyclopropanecarboxamide
SMILESNCC#Cc1ccc(F)c(CNC(=O)C2CC2)c1
InChIInChI=1S/C14H15FN2O/c15-13-6-3-10(2-1-7-16)8-12(13)9-17-14(18)11-4-5-11/h3,6,8,11H,4-5,7,9,16H2,(H,17,18)
InChIKeyOSJDXLXBDSUICI-UHFFFAOYSA-N
XLogP1.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-5-methyloxolane-3-carboxamide
CID 114826624
N-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]thiane-2-carboxamide
CID 80596616
N-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103121304
N-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]methanesulfonamide
CID 54966478
[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methylurea
CID 54967183
3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161514
3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550760
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]cyclopentanecarboxamide
CID 62910082
N-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2,2-dimethylbutanamide
CID 62678820
5-chloro-N-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]thiophene-2-carboxamide
CID 62277847
2-cyclobutyl-N-[[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methyl]acetamide
CID 103165231
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanecarboxamide
CID 60803979

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]cyclopropanecarboxamide (CID 54966575) is N-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]cyclopropanecarboxamide is NCC#Cc1ccc(F)c(CNC(=O)C2CC2)c1.
What is the InChIKey of N-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]cyclopropanecarboxamide?
The InChIKey is OSJDXLXBDSUICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-13-6-3-10(2-1-7-16)8-12(13)9-17-14(18)11-4-5-11/h3,6,8,11H,4-5,7,9,16H2,(H,17,18).
What are the key properties of N-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]cyclopropanecarboxamide?
N-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]cyclopropanecarboxamide has a molecular weight of 246.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 54966575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).