5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide

C15H15FN2O2 — CID 61238534

IUPAC5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
SMILESNc1ccc(F)c(C(=O)NCCc2ccc(O)cc2)c1
InChIInChI=1S/C15H15FN2O2/c16-14-6-3-11(17)9-13(14)15(20)18-8-7-10-1-4-12(19)5-2-10/h1-6,9,19H,7-8,17H2,(H,18,20)
InChIKeyVKKFGVSCLYAMQV-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.09
Rot. Bonds4

About 5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide

5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide (PubChem CID 61238534) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
PubChem CID61238534
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
SMILESNc1ccc(F)c(C(=O)NCCc2ccc(O)cc2)c1
InChIInChI=1S/C15H15FN2O2/c16-14-6-3-11(17)9-13(14)15(20)18-8-7-10-1-4-12(19)5-2-10/h1-6,9,19H,7-8,17H2,(H,18,20)
InChIKeyVKKFGVSCLYAMQV-UHFFFAOYSA-N
XLogP2.09
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61237813
N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide
CID 39359576
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide
CID 43510918
2,6-difluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61017284
N-[2-(4-chlorophenyl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939851
N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500100
5-amino-N-butyl-2-fluorobenzamide
CID 43510823
2-amino-N-[2-(4-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 107074342
methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate
CID 43665877
5-amino-2-fluoro-N-hexylbenzamide
CID 61113619
5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65230532

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
The IUPAC name of 5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide (CID 61238534) is 5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide is Nc1ccc(F)c(C(=O)NCCc2ccc(O)cc2)c1.
What is the InChIKey of 5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
The InChIKey is VKKFGVSCLYAMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-14-6-3-11(17)9-13(14)15(20)18-8-7-10-1-4-12(19)5-2-10/h1-6,9,19H,7-8,17H2,(H,18,20).
What are the key properties of 5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide has a molecular weight of 274.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide is sourced from PubChem (CID 61238534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).