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

C14H17FN2O — CID 104780807

IUPACN-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(F)c(C#CCN)c1
InChIInChI=1S/C14H17FN2O/c1-2-3-6-14(18)17-12-7-8-13(15)11(10-12)5-4-9-16/h7-8,10H,2-3,6,9,16H2,1H3,(H,17,18)
InChIKeyVVUTZEMIXVGROK-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.26
Rot. Bonds4

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

N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]pentanamide (PubChem CID 104780807) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]pentanamide.

Molecular Properties

Compound NameN-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]pentanamide
PubChem CID104780807
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(F)c(C#CCN)c1
InChIInChI=1S/C14H17FN2O/c1-2-3-6-14(18)17-12-7-8-13(15)11(10-12)5-4-9-16/h7-8,10H,2-3,6,9,16H2,1H3,(H,17,18)
InChIKeyVVUTZEMIXVGROK-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.26
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-chlorophenyl]heptanamide
CID 114753355
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-phenylacetamide
CID 104780831
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-3-(furan-2-yl)propanamide
CID 104780887
4-amino-N-[3-(3-aminoprop-1-ynyl)-4-methoxyphenyl]butanamide
CID 172549087
4-(4-aminobutanoylamino)-2-(3-aminoprop-1-ynyl)-N-methylbenzamide
CID 172548923
methyl 4-(4-aminobutanoylamino)-2-(3-aminoprop-1-ynyl)benzoate
CID 168938776
N-(3-carbamothioyl-4-fluorophenyl)pentanamide
CID 62316646
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide
CID 114822227
N-(3,4-dicyanophenyl)pentanamide
CID 113240271
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide
CID 104780865
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide
CID 104780767

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]pentanamide?
The IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]pentanamide (CID 104780807) is N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]pentanamide.
What is the SMILES notation for N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]pentanamide?
The canonical SMILES for N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]pentanamide is CCCCC(=O)Nc1ccc(F)c(C#CCN)c1.
What is the InChIKey of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]pentanamide?
The InChIKey is VVUTZEMIXVGROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-2-3-6-14(18)17-12-7-8-13(15)11(10-12)5-4-9-16/h7-8,10H,2-3,6,9,16H2,1H3,(H,17,18).
What are the key properties of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]pentanamide?
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]pentanamide has a molecular weight of 248.30 g/mol, XLogP of 2.26, 4 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]pentanamide is sourced from PubChem (CID 104780807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).