N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide

C14H17FN2O — CID 112722717

IUPACN-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)C(C)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O/c1-4-9-16-10-14(18)17(3)11(2)12-5-7-13(15)8-6-12/h1,5-8,11,16H,9-10H2,2-3H3
InChIKeyNVTKNRPVGCUJCI-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.57
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide

N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide (PubChem CID 112722717) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
PubChem CID112722717
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)C(C)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O/c1-4-9-16-10-14(18)17(3)11(2)12-5-7-13(15)8-6-12/h1,5-8,11,16H,9-10H2,2-3H3
InChIKeyNVTKNRPVGCUJCI-UHFFFAOYSA-N
XLogP1.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79287578
2-[1-(4-fluorophenyl)ethyl-methylamino]-N-prop-2-ynylacetamide
CID 47014928
6-[1-(4-fluorophenyl)ethyl-methylamino]-6-oxohexanoic acid
CID 60952600
N-(1-methoxypropan-2-yl)-N-methyl-2-(prop-2-ynylamino)acetamide
CID 79287394
2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 56815151
2-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]sulfanylacetic acid
CID 113219837
2-(cyanomethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 51078766
2-(1-aminocyclobutyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 79854166
2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide
CID 28581707
2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 124671108
N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 28563124
N-butan-2-yl-2-[4-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 134019653

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide (CID 112722717) is N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(C)C(C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
The InChIKey is NVTKNRPVGCUJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-4-9-16-10-14(18)17(3)11(2)12-5-7-13(15)8-6-12/h1,5-8,11,16H,9-10H2,2-3H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide has a molecular weight of 248.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 112722717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).