3-amino-2-ethylbenzamide;fluorobenzene

C15H17FN2O — CID 174889008

IUPAC3-amino-2-ethylbenzamide;fluorobenzene
SMILESCCc1c(N)cccc1C(N)=O.Fc1ccccc1
InChIInChI=1S/C9H12N2O.C6H5F/c1-2-6-7(9(11)12)4-3-5-8(6)10;7-6-4-2-1-3-5-6/h3-5H,2,10H2,1H3,(H2,11,12);1-5H
InChIKeyJXSWTNKFTGBUOE-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.76
Rot. Bonds2

About 3-amino-2-ethylbenzamide;fluorobenzene

3-amino-2-ethylbenzamide;fluorobenzene (PubChem CID 174889008) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-amino-2-ethylbenzamide;fluorobenzene.

Molecular Properties

Compound Name3-amino-2-ethylbenzamide;fluorobenzene
PubChem CID174889008
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name3-amino-2-ethylbenzamide;fluorobenzene
SMILESCCc1c(N)cccc1C(N)=O.Fc1ccccc1
InChIInChI=1S/C9H12N2O.C6H5F/c1-2-6-7(9(11)12)4-3-5-8(6)10;7-6-4-2-1-3-5-6/h3-5H,2,10H2,1H3,(H2,11,12);1-5H
InChIKeyJXSWTNKFTGBUOE-UHFFFAOYSA-N
XLogP2.76
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.76
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

3-amino-2-ethylbenzamide;dihydrochloride
CID 174785201
3-amino-2-ethylbenzoic acid
CID 18185344
2,3-diethylbenzamide;hydrofluoride
CID 175203586
3-amino-2-(phenoxymethyl)benzamide
CID 69266534
2-(3-amino-2-ethylphenyl)acetic acid
CID 91873822
bis(2-aminobenzamide);platinum(2+)
CID 50912239
3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzamide
CID 115934270
3-amino-2-(N-ethylanilino)benzamide
CID 112577869
2-ethyl-3-pentoxybenzamide
CID 67228177
2-ethyl-3-pyrimidin-5-ylbenzamide
CID 166652738
4-amino-2-ethyl-3-(trifluoromethyl)benzamide
CID 174774948
3-amino-2-(1-phenylethyl)benzamide
CID 135263539

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethylbenzamide;fluorobenzene?
The IUPAC name of 3-amino-2-ethylbenzamide;fluorobenzene (CID 174889008) is 3-amino-2-ethylbenzamide;fluorobenzene.
What is the SMILES notation for 3-amino-2-ethylbenzamide;fluorobenzene?
The canonical SMILES for 3-amino-2-ethylbenzamide;fluorobenzene is CCc1c(N)cccc1C(N)=O.Fc1ccccc1.
What is the InChIKey of 3-amino-2-ethylbenzamide;fluorobenzene?
The InChIKey is JXSWTNKFTGBUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C6H5F/c1-2-6-7(9(11)12)4-3-5-8(6)10;7-6-4-2-1-3-5-6/h3-5H,2,10H2,1H3,(H2,11,12);1-5H.
What are the key properties of 3-amino-2-ethylbenzamide;fluorobenzene?
3-amino-2-ethylbenzamide;fluorobenzene has a molecular weight of 260.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethylbenzamide;fluorobenzene is sourced from PubChem (CID 174889008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).