2-amino-4-fluoro-N-prop-2-ynylbenzamide

C10H9FN2O — CID 62074165

IUPAC2-amino-4-fluoro-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccc(F)cc1N
InChIInChI=1S/C10H9FN2O/c1-2-5-13-10(14)8-4-3-7(11)6-9(8)12/h1,3-4,6H,5,12H2,(H,13,14)
InChIKeyVAVMRWVGRUBBAX-UHFFFAOYSA-N
MW192.19 g/mol
LogP0.77
Rot. Bonds2

About 2-amino-4-fluoro-N-prop-2-ynylbenzamide

2-amino-4-fluoro-N-prop-2-ynylbenzamide (PubChem CID 62074165) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-prop-2-ynylbenzamide
PubChem CID62074165
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name2-amino-4-fluoro-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccc(F)cc1N
InChIInChI=1S/C10H9FN2O/c1-2-5-13-10(14)8-4-3-7(11)6-9(8)12/h1,3-4,6H,5,12H2,(H,13,14)
InChIKeyVAVMRWVGRUBBAX-UHFFFAOYSA-N
XLogP0.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(cyanomethyl)-4-fluorobenzamide
CID 63110564
2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide
CID 83120721
2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide
CID 65108644
2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 62073634
2-amino-4-fluoro-N-(3-hydroxybutyl)benzamide
CID 64913148
2-amino-4-fluoro-N-hydroxybenzamide
CID 11593504
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide
CID 63110068
4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide
CID 87412012
4-amino-3-fluoro-N-prop-2-ynylbenzamide
CID 62678151
2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 62073957
2-amino-4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 63110019
2-amino-4-fluoro-N-(7-methyloctyl)benzamide
CID 62075011

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-prop-2-ynylbenzamide?
The IUPAC name of 2-amino-4-fluoro-N-prop-2-ynylbenzamide (CID 62074165) is 2-amino-4-fluoro-N-prop-2-ynylbenzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-prop-2-ynylbenzamide?
The canonical SMILES for 2-amino-4-fluoro-N-prop-2-ynylbenzamide is C#CCNC(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-N-prop-2-ynylbenzamide?
The InChIKey is VAVMRWVGRUBBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-2-5-13-10(14)8-4-3-7(11)6-9(8)12/h1,3-4,6H,5,12H2,(H,13,14).
What are the key properties of 2-amino-4-fluoro-N-prop-2-ynylbenzamide?
2-amino-4-fluoro-N-prop-2-ynylbenzamide has a molecular weight of 192.19 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-prop-2-ynylbenzamide is sourced from PubChem (CID 62074165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).