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

C14H16FN3O2 — CID 79153035

IUPACN-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]morpholine-4-carboxamide
SMILESNCC#Cc1ccc(NC(=O)N2CCOCC2)cc1F
InChIInChI=1S/C14H16FN3O2/c15-13-10-12(4-3-11(13)2-1-5-16)17-14(19)18-6-8-20-9-7-18/h3-4,10H,5-9,16H2,(H,17,19)
InChIKeyPDXXVUZHUPJICQ-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.00
Rot. Bonds1

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

N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]morpholine-4-carboxamide (PubChem CID 79153035) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]morpholine-4-carboxamide
PubChem CID79153035
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]morpholine-4-carboxamide
SMILESNCC#Cc1ccc(NC(=O)N2CCOCC2)cc1F
InChIInChI=1S/C14H16FN3O2/c15-13-10-12(4-3-11(13)2-1-5-16)17-14(19)18-6-8-20-9-7-18/h3-4,10H,5-9,16H2,(H,17,19)
InChIKeyPDXXVUZHUPJICQ-UHFFFAOYSA-N
XLogP1.00
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide
CID 65438048
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]azepane-1-carboxamide
CID 79157683
N-(4-chloro-3-fluorophenyl)morpholine-4-carboxamide
CID 47223545
N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide
CID 115646656
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide
CID 65436068
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide
CID 102821736
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylfuran-3-carboxamide
CID 114822220
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]morpholine-4-carboxamide
CID 79151985
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1,2-oxazole-3-carboxamide
CID 65435499
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 65436071
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
CID 65435106

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]morpholine-4-carboxamide (CID 79153035) is N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]morpholine-4-carboxamide is NCC#Cc1ccc(NC(=O)N2CCOCC2)cc1F.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]morpholine-4-carboxamide?
The InChIKey is PDXXVUZHUPJICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c15-13-10-12(4-3-11(13)2-1-5-16)17-14(19)18-6-8-20-9-7-18/h3-4,10H,5-9,16H2,(H,17,19).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]morpholine-4-carboxamide?
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]morpholine-4-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]morpholine-4-carboxamide is sourced from PubChem (CID 79153035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).