5-(3-aminoprop-1-ynyl)-2-fluoro-N-morpholin-4-ylbenzamide

C14H16FN3O2 — CID 83023656

IUPAC5-(3-aminoprop-1-ynyl)-2-fluoro-N-morpholin-4-ylbenzamide
SMILESNCC#Cc1ccc(F)c(C(=O)NN2CCOCC2)c1
InChIInChI=1S/C14H16FN3O2/c15-13-4-3-11(2-1-5-16)10-12(13)14(19)17-18-6-8-20-9-7-18/h3-4,10H,5-9,16H2,(H,17,19)
InChIKeyYVOQZUKDGHZSTI-UHFFFAOYSA-N
MW277.30 g/mol
LogP0.11
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-2-fluoro-N-morpholin-4-ylbenzamide

5-(3-aminoprop-1-ynyl)-2-fluoro-N-morpholin-4-ylbenzamide (PubChem CID 83023656) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-2-fluoro-N-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-2-fluoro-N-morpholin-4-ylbenzamide
PubChem CID83023656
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name5-(3-aminoprop-1-ynyl)-2-fluoro-N-morpholin-4-ylbenzamide
SMILESNCC#Cc1ccc(F)c(C(=O)NN2CCOCC2)c1
InChIInChI=1S/C14H16FN3O2/c15-13-4-3-11(2-1-5-16)10-12(13)14(19)17-18-6-8-20-9-7-18/h3-4,10H,5-9,16H2,(H,17,19)
InChIKeyYVOQZUKDGHZSTI-UHFFFAOYSA-N
XLogP0.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzamide
CID 83022705
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-morpholin-4-ylbenzamide
CID 83023821
2-fluoro-N-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 80710497
5-(3-aminoprop-1-ynyl)-N-butyl-2-fluorobenzamide
CID 60821115
3-(3-aminoprop-1-ynyl)-4-methyl-N-morpholin-4-ylbenzamide
CID 83023741
5-(3-aminoprop-1-ynyl)-2-fluoro-N-(1,2-oxazol-3-yl)benzamide
CID 55131063
5-(3-aminoprop-1-ynyl)-2-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106406855
[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(4,4-dimethylpiperidin-1-yl)methanone
CID 62930685
5-(3-aminoprop-1-ynyl)-2-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295376
[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(4-methylpiperidin-1-yl)methanone
CID 60820959
N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-(3-aminoprop-1-ynyl)-2-fluorobenzamide
CID 106098212
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(oxan-4-ylmethyl)benzamide
CID 63705769

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-2-fluoro-N-morpholin-4-ylbenzamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-2-fluoro-N-morpholin-4-ylbenzamide (CID 83023656) is 5-(3-aminoprop-1-ynyl)-2-fluoro-N-morpholin-4-ylbenzamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-2-fluoro-N-morpholin-4-ylbenzamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-2-fluoro-N-morpholin-4-ylbenzamide is NCC#Cc1ccc(F)c(C(=O)NN2CCOCC2)c1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-2-fluoro-N-morpholin-4-ylbenzamide?
The InChIKey is YVOQZUKDGHZSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c15-13-4-3-11(2-1-5-16)10-12(13)14(19)17-18-6-8-20-9-7-18/h3-4,10H,5-9,16H2,(H,17,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-2-fluoro-N-morpholin-4-ylbenzamide?
5-(3-aminoprop-1-ynyl)-2-fluoro-N-morpholin-4-ylbenzamide has a molecular weight of 277.30 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-2-fluoro-N-morpholin-4-ylbenzamide is sourced from PubChem (CID 83023656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).