5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide

C17H19FN2O — CID 61140778

IUPAC5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide
SMILESCCc1ccc(C(C)NC(=O)c2cc(N)ccc2F)cc1
InChIInChI=1S/C17H19FN2O/c1-3-12-4-6-13(7-5-12)11(2)20-17(21)15-10-14(19)8-9-16(15)18/h4-11H,3,19H2,1-2H3,(H,20,21)
InChIKeyVXNCTHZBSDDOFA-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.46
Rot. Bonds4

About 5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide

5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide (PubChem CID 61140778) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide
PubChem CID61140778
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide
SMILESCCc1ccc(C(C)NC(=O)c2cc(N)ccc2F)cc1
InChIInChI=1S/C17H19FN2O/c1-3-12-4-6-13(7-5-12)11(2)20-17(21)15-10-14(19)8-9-16(15)18/h4-11H,3,19H2,1-2H3,(H,20,21)
InChIKeyVXNCTHZBSDDOFA-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide
CID 61118117
5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61139068
5-amino-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 61139612
5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide
CID 63843251
N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63483320
5-amino-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 93091479
N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712064
5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 115297455
5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide
CID 64602204
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide
CID 81354408
5-amino-2-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 61471686

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide?
The IUPAC name of 5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide (CID 61140778) is 5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide?
The canonical SMILES for 5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide is CCc1ccc(C(C)NC(=O)c2cc(N)ccc2F)cc1.
What is the InChIKey of 5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide?
The InChIKey is VXNCTHZBSDDOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-3-12-4-6-13(7-5-12)11(2)20-17(21)15-10-14(19)8-9-16(15)18/h4-11H,3,19H2,1-2H3,(H,20,21).
What are the key properties of 5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide?
5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide has a molecular weight of 286.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 61140778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).