N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide

C15H15FN2O — CID 39359576

IUPACN-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide
SMILESNc1ccc(CCNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C15H15FN2O/c16-14-4-2-1-3-13(14)15(19)18-10-9-11-5-7-12(17)8-6-11/h1-8H,9-10,17H2,(H,18,19)
InChIKeyMZOIACOAHBKXBE-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.38
Rot. Bonds4

About N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide

N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide (PubChem CID 39359576) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide
PubChem CID39359576
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide
SMILESNc1ccc(CCNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C15H15FN2O/c16-14-4-2-1-3-13(14)15(19)18-10-9-11-5-7-12(17)8-6-11/h1-8H,9-10,17H2,(H,18,19)
InChIKeyMZOIACOAHBKXBE-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide;hydrochloride
CID 119548063
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61238534
N-[2-(4-aminophenyl)ethyl]-5-fluoro-2-methylbenzamide
CID 63048750
2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide
CID 110790773
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
2-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)benzamide
CID 174954311
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate
CID 7863944

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide (CID 39359576) is N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide is Nc1ccc(CCNC(=O)c2ccccc2F)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide?
The InChIKey is MZOIACOAHBKXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-14-4-2-1-3-13(14)15(19)18-10-9-11-5-7-12(17)8-6-11/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide?
N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide has a molecular weight of 258.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 39359576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).