2-amino-N-benzyl-N-ethyl-4-fluorobenzamide

C16H17FN2O — CID 63109647

IUPAC2-amino-N-benzyl-N-ethyl-4-fluorobenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C16H17FN2O/c1-2-19(11-12-6-4-3-5-7-12)16(20)14-9-8-13(17)10-15(14)18/h3-10H,2,11,18H2,1H3
InChIKeyKXQPLLMMZFNEPT-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.07
Rot. Bonds4

About 2-amino-N-benzyl-N-ethyl-4-fluorobenzamide

2-amino-N-benzyl-N-ethyl-4-fluorobenzamide (PubChem CID 63109647) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-amino-N-benzyl-N-ethyl-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-benzyl-N-ethyl-4-fluorobenzamide
PubChem CID63109647
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name2-amino-N-benzyl-N-ethyl-4-fluorobenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C16H17FN2O/c1-2-19(11-12-6-4-3-5-7-12)16(20)14-9-8-13(17)10-15(14)18/h3-10H,2,11,18H2,1H3
InChIKeyKXQPLLMMZFNEPT-UHFFFAOYSA-N
XLogP3.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.07
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

2-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
CID 63110267
N-benzyl-N-ethyl-4-fluoro-2-methylbenzamide
CID 115745298
2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113468555
4-amino-N-benzyl-2-chloro-N-ethylbenzamide
CID 28748815
5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide
CID 103295866
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzamide
CID 55228471
2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide
CID 63110466
N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide
CID 28826070
2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
CID 63110325
N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide
CID 103602990
2,4-diamino-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
CID 61105036
2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide
CID 63110451

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-N-ethyl-4-fluorobenzamide?
The IUPAC name of 2-amino-N-benzyl-N-ethyl-4-fluorobenzamide (CID 63109647) is 2-amino-N-benzyl-N-ethyl-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-benzyl-N-ethyl-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-benzyl-N-ethyl-4-fluorobenzamide is CCN(Cc1ccccc1)C(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-N-benzyl-N-ethyl-4-fluorobenzamide?
The InChIKey is KXQPLLMMZFNEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-2-19(11-12-6-4-3-5-7-12)16(20)14-9-8-13(17)10-15(14)18/h3-10H,2,11,18H2,1H3.
What are the key properties of 2-amino-N-benzyl-N-ethyl-4-fluorobenzamide?
2-amino-N-benzyl-N-ethyl-4-fluorobenzamide has a molecular weight of 272.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-N-ethyl-4-fluorobenzamide is sourced from PubChem (CID 63109647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).