3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide

C17H19FN2O — CID 61108530

IUPAC3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
SMILESCCN(CCc1ccccc1)C(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C17H19FN2O/c1-2-20(11-10-13-6-4-3-5-7-13)17(21)14-8-9-15(18)16(19)12-14/h3-9,12H,2,10-11,19H2,1H3
InChIKeyKFIVYTATTQYQPY-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.11
Rot. Bonds5

About 3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide

3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide (PubChem CID 61108530) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
PubChem CID61108530
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
SMILESCCN(CCc1ccccc1)C(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C17H19FN2O/c1-2-20(11-10-13-6-4-3-5-7-13)17(21)14-8-9-15(18)16(19)12-14/h3-9,12H,2,10-11,19H2,1H3
InChIKeyKFIVYTATTQYQPY-UHFFFAOYSA-N
XLogP3.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-fluoro-3-methyl-N-(2-phenylethyl)benzamide
CID 63213317
3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 61138218
2-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
CID 63110267
3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82183845
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
2-amino-N-ethyl-3-fluoro-N-(2-phenylethyl)benzamide
CID 81499615
4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide
CID 62680430
3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide
CID 120884910
N-ethyl-5-iodo-N-(2-phenylethyl)thiophene-3-carboxamide
CID 78948452
3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 39372172
2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide
CID 60738878
N-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886409

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide (CID 61108530) is 3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide is CCN(CCc1ccccc1)C(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide?
The InChIKey is KFIVYTATTQYQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-2-20(11-10-13-6-4-3-5-7-13)17(21)14-8-9-15(18)16(19)12-14/h3-9,12H,2,10-11,19H2,1H3.
What are the key properties of 3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide?
3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide has a molecular weight of 286.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 61108530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).