4-amino-3-fluoro-N-prop-2-ynylbenzamide

C10H9FN2O — CID 62678151

IUPAC4-amino-3-fluoro-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C10H9FN2O/c1-2-5-13-10(14)7-3-4-9(12)8(11)6-7/h1,3-4,6H,5,12H2,(H,13,14)
InChIKeyWCASFXUWACKCRF-UHFFFAOYSA-N
MW192.19 g/mol
LogP0.77
Rot. Bonds2

About 4-amino-3-fluoro-N-prop-2-ynylbenzamide

4-amino-3-fluoro-N-prop-2-ynylbenzamide (PubChem CID 62678151) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-prop-2-ynylbenzamide
PubChem CID62678151
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name4-amino-3-fluoro-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C10H9FN2O/c1-2-5-13-10(14)7-3-4-9(12)8(11)6-7/h1,3-4,6H,5,12H2,(H,13,14)
InChIKeyWCASFXUWACKCRF-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

4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide
CID 87412012
4-amino-3-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 62678517
methyl 3-[(4-amino-3-fluorobenzoyl)amino]propanoate
CID 55103215
4-amino-3-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65118030
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide
CID 64681507
4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 62680801
4-[(4-amino-3-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 81072525
2-(4-amino-3-fluorophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 79141742
2-amino-4-fluoro-N-prop-2-ynylbenzamide
CID 62074165
4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 114113741
4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 62679848

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-prop-2-ynylbenzamide?
The IUPAC name of 4-amino-3-fluoro-N-prop-2-ynylbenzamide (CID 62678151) is 4-amino-3-fluoro-N-prop-2-ynylbenzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-prop-2-ynylbenzamide?
The canonical SMILES for 4-amino-3-fluoro-N-prop-2-ynylbenzamide is C#CCNC(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-prop-2-ynylbenzamide?
The InChIKey is WCASFXUWACKCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-2-5-13-10(14)7-3-4-9(12)8(11)6-7/h1,3-4,6H,5,12H2,(H,13,14).
What are the key properties of 4-amino-3-fluoro-N-prop-2-ynylbenzamide?
4-amino-3-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 4-amino-3-fluoro-N-prop-2-ynylbenzamide is sourced from PubChem (CID 62678151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).