2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide

C12H15FN2O — CID 63109697

IUPAC2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide
SMILESCCN(C(=O)c1ccc(F)cc1N)C1CC1
InChIInChI=1S/C12H15FN2O/c1-2-15(9-4-5-9)12(16)10-6-3-8(13)7-11(10)14/h3,6-7,9H,2,4-5,14H2,1H3
InChIKeyMWNJNFKXNWRYSE-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.03
Rot. Bonds3

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

2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide (PubChem CID 63109697) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide
PubChem CID63109697
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide
SMILESCCN(C(=O)c1ccc(F)cc1N)C1CC1
InChIInChI=1S/C12H15FN2O/c1-2-15(9-4-5-9)12(16)10-6-3-8(13)7-11(10)14/h3,6-7,9H,2,4-5,14H2,1H3
InChIKeyMWNJNFKXNWRYSE-UHFFFAOYSA-N
XLogP2.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.03
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-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide
CID 63110252
2-bromo-N-cyclopropyl-N-ethyl-4-fluorobenzamide
CID 43243374
2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
CID 62072600
3-amino-N-cyclopropyl-N-ethylnaphthalene-2-carboxamide
CID 61209180
2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide
CID 60944357
2-amino-N-cyclopropyl-N-ethyl-4,5-dimethoxybenzamide
CID 43263713
3-amino-N-cyclopropyl-N-ethylpyridine-4-carboxamide
CID 105068531
2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
CID 63110420
N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide
CID 103887557
N-ethyl-5-fluoro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 115299350
N-ethyl-5-fluoro-2-methyl-N-piperidin-4-ylbenzamide
CID 63048793
2-amino-N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 63110320

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide?
The IUPAC name of 2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide (CID 63109697) is 2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide is CCN(C(=O)c1ccc(F)cc1N)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide?
The InChIKey is MWNJNFKXNWRYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-2-15(9-4-5-9)12(16)10-6-3-8(13)7-11(10)14/h3,6-7,9H,2,4-5,14H2,1H3.
What are the key properties of 2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide?
2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide has a molecular weight of 222.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide is sourced from PubChem (CID 63109697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).