N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-phenylacetamide

C17H15FN2O — CID 104780831

IUPACN-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-phenylacetamide
SMILESNCC#Cc1cc(NC(=O)Cc2ccccc2)ccc1F
InChIInChI=1S/C17H15FN2O/c18-16-9-8-15(12-14(16)7-4-10-19)20-17(21)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,12H,10-11,19H2,(H,20,21)
InChIKeyDPPQECCYJODIPW-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.32
Rot. Bonds3

About N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-phenylacetamide

N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-phenylacetamide (PubChem CID 104780831) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-phenylacetamide
PubChem CID104780831
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC NameN-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-phenylacetamide
SMILESNCC#Cc1cc(NC(=O)Cc2ccccc2)ccc1F
InChIInChI=1S/C17H15FN2O/c18-16-9-8-15(12-14(16)7-4-10-19)20-17(21)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,12H,10-11,19H2,(H,20,21)
InChIKeyDPPQECCYJODIPW-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.32
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-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methoxyacetamide
CID 113452395
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]pentanamide
CID 104780807
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-3-(furan-2-yl)propanamide
CID 104780887
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide
CID 104780865
2-(3-aminoprop-1-ynyl)-N-(3-chloro-4-fluorophenyl)benzamide
CID 60822368
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide
CID 104780767
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide
CID 114822227
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide
CID 104786329
N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-2-phenylacetamide
CID 87006955
2-(4-chlorophenyl)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316311
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-pyrazol-1-ylpropanamide
CID 104780732

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-phenylacetamide?
The IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-phenylacetamide (CID 104780831) is N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-phenylacetamide?
The canonical SMILES for N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-phenylacetamide is NCC#Cc1cc(NC(=O)Cc2ccccc2)ccc1F.
What is the InChIKey of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-phenylacetamide?
The InChIKey is DPPQECCYJODIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-16-9-8-15(12-14(16)7-4-10-19)20-17(21)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,12H,10-11,19H2,(H,20,21).
What are the key properties of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-phenylacetamide?
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-phenylacetamide has a molecular weight of 282.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-phenylacetamide is sourced from PubChem (CID 104780831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).