5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide

C17H19FN2O — CID 103295866

IUPAC5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C17H19FN2O/c1-3-20(11-13-7-5-4-6-8-13)17(21)15-10-14(19)9-12(2)16(15)18/h4-10H,3,11,19H2,1-2H3
InChIKeyHVSFFKQRXAJEQN-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.38
Rot. Bonds4

About 5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide

5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide (PubChem CID 103295866) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide
PubChem CID103295866
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C17H19FN2O/c1-3-20(11-13-7-5-4-6-8-13)17(21)15-10-14(19)9-12(2)16(15)18/h4-10H,3,11,19H2,1-2H3
InChIKeyHVSFFKQRXAJEQN-UHFFFAOYSA-N
XLogP3.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.38
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

5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide
CID 103295681
5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide
CID 103296950
N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide
CID 115745298
5-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 103296169
2-amino-N-benzyl-N-ethyl-4-fluorobenzamide
CID 63109647
5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide
CID 103296632
4-amino-N-benzyl-2-chloro-N-ethylbenzamide
CID 28748815
5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103295957
N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide
CID 43459006
benzyl 5-amino-2-fluoro-3-methylbenzoate
CID 103297807
5-amino-N-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 103296048
N-[(4-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458688

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide?
The IUPAC name of 5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide (CID 103295866) is 5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide?
The canonical SMILES for 5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide is CCN(Cc1ccccc1)C(=O)c1cc(N)cc(C)c1F.
What is the InChIKey of 5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide?
The InChIKey is HVSFFKQRXAJEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-3-20(11-13-7-5-4-6-8-13)17(21)15-10-14(19)9-12(2)16(15)18/h4-10H,3,11,19H2,1-2H3.
What are the key properties of 5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide?
5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 103295866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).