4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide

C16H17FN2O2 — CID 107074457

IUPAC4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide
SMILESCC(c1ccccc1F)N(C)C(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C16H17FN2O2/c1-10(12-5-3-4-6-13(12)17)19(2)16(21)11-7-8-14(18)15(20)9-11/h3-10,20H,18H2,1-2H3
InChIKeyYZUPGUNNAPBIKN-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.95
Rot. Bonds3

About 4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide

4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide (PubChem CID 107074457) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide
PubChem CID107074457
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide
SMILESCC(c1ccccc1F)N(C)C(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C16H17FN2O2/c1-10(12-5-3-4-6-13(12)17)19(2)16(21)11-7-8-14(18)15(20)9-11/h3-10,20H,18H2,1-2H3
InChIKeyYZUPGUNNAPBIKN-UHFFFAOYSA-N
XLogP2.95
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60939530
2-amino-N-[1-(2-fluorophenyl)ethyl]-5-hydroxy-N-methylbenzamide
CID 107074458
3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide
CID 81458555
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60938948
4-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylbenzamide
CID 107075078
3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107980294
N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N,2-dimethylbenzamide
CID 103865191
3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61114053
N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-N-methylpyridine-3-carboxamide
CID 62978778
6-amino-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62980163
3-bromo-5-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107952079
2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043567

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide?
The IUPAC name of 4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide (CID 107074457) is 4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide?
The canonical SMILES for 4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide is CC(c1ccccc1F)N(C)C(=O)c1ccc(N)c(O)c1.
What is the InChIKey of 4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide?
The InChIKey is YZUPGUNNAPBIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10(12-5-3-4-6-13(12)17)19(2)16(21)11-7-8-14(18)15(20)9-11/h3-10,20H,18H2,1-2H3.
What are the key properties of 4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide?
4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide has a molecular weight of 288.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide is sourced from PubChem (CID 107074457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).