3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide

C13H17FN2O — CID 43568628

IUPAC3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide
SMILESCC(C1CC1)N(C)C(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C13H17FN2O/c1-8(9-3-4-9)16(2)13(17)10-5-6-11(14)12(15)7-10/h5-9H,3-4,15H2,1-2H3
InChIKeyAPEHIUIUMLQZOA-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.28
Rot. Bonds3

About 3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide

3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide (PubChem CID 43568628) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide
PubChem CID43568628
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide
SMILESCC(C1CC1)N(C)C(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C13H17FN2O/c1-8(9-3-4-9)16(2)13(17)10-5-6-11(14)12(15)7-10/h5-9H,3-4,15H2,1-2H3
InChIKeyAPEHIUIUMLQZOA-UHFFFAOYSA-N
XLogP2.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.28
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

4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide
CID 107074108
3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide
CID 61107619
N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide
CID 62680223
3-amino-N-cyclobutyl-4-fluoro-N-methylbenzamide
CID 115739588
5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide
CID 60724229
3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide
CID 61107794
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109693
3-amino-N-(2-cyclopropylpropyl)-4-fluorobenzamide
CID 113266416
3-amino-N-(1-cyclopropylethyl)-2,5-difluoro-N-methylbenzamide
CID 107120546
3-amino-4-fluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 43437025
N-(1-cyclopropylethyl)-N-methyl-9-oxofluorene-2-carboxamide
CID 24658431
3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide
CID 61139880

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide?
The IUPAC name of 3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide (CID 43568628) is 3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide?
The canonical SMILES for 3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide is CC(C1CC1)N(C)C(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide?
The InChIKey is APEHIUIUMLQZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-8(9-3-4-9)16(2)13(17)10-5-6-11(14)12(15)7-10/h5-9H,3-4,15H2,1-2H3.
What are the key properties of 3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide?
3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide has a molecular weight of 236.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 43568628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).