2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide

C15H23FN2O — CID 62649252

IUPAC2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide
SMILESCCCCCN(C)C(=O)c1cccc(F)c1NCC
InChIInChI=1S/C15H23FN2O/c1-4-6-7-11-18(3)15(19)12-9-8-10-13(16)14(12)17-5-2/h8-10,17H,4-7,11H2,1-3H3
InChIKeyOAESEPGPYPQPJX-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.52
Rot. Bonds7

About 2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide

2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide (PubChem CID 62649252) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide.

Molecular Properties

Compound Name2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide
PubChem CID62649252
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide
SMILESCCCCCN(C)C(=O)c1cccc(F)c1NCC
InChIInChI=1S/C15H23FN2O/c1-4-6-7-11-18(3)15(19)12-9-8-10-13(16)14(12)17-5-2/h8-10,17H,4-7,11H2,1-3H3
InChIKeyOAESEPGPYPQPJX-UHFFFAOYSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-methyl-N-pentyl-2-(propylamino)benzamide
CID 62649253
2,3-difluoro-N-methyl-N-propylbenzamide
CID 62649186
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
2-(ethylamino)-3-fluoro-N-methyl-N-(2-methylphenyl)benzamide
CID 62661216
2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide
CID 62662293
N-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62660550
N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide
CID 63694509
N-ethyl-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62648777
N-methyl-2-(methylamino)-N-pentylbenzamide
CID 61375902
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide
CID 62650035
3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056441
N-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62650074

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide?
The IUPAC name of 2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide (CID 62649252) is 2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide.
What is the SMILES notation for 2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide?
The canonical SMILES for 2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide is CCCCCN(C)C(=O)c1cccc(F)c1NCC.
What is the InChIKey of 2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide?
The InChIKey is OAESEPGPYPQPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-4-6-7-11-18(3)15(19)12-9-8-10-13(16)14(12)17-5-2/h8-10,17H,4-7,11H2,1-3H3.
What are the key properties of 2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide?
2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide has a molecular weight of 266.36 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide is sourced from PubChem (CID 62649252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).