3-amino-N-(1-cyclopropylethyl)-2,5-difluoro-N-methylbenzamide

C13H16F2N2O — CID 107120546

IUPAC3-amino-N-(1-cyclopropylethyl)-2,5-difluoro-N-methylbenzamide
SMILESCC(C1CC1)N(C)C(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C13H16F2N2O/c1-7(8-3-4-8)17(2)13(18)10-5-9(14)6-11(16)12(10)15/h5-8H,3-4,16H2,1-2H3
InChIKeyGZPASOYYPWGCFQ-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.42
Rot. Bonds3

About 3-amino-N-(1-cyclopropylethyl)-2,5-difluoro-N-methylbenzamide

3-amino-N-(1-cyclopropylethyl)-2,5-difluoro-N-methylbenzamide (PubChem CID 107120546) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopropylethyl)-2,5-difluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclopropylethyl)-2,5-difluoro-N-methylbenzamide
PubChem CID107120546
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name3-amino-N-(1-cyclopropylethyl)-2,5-difluoro-N-methylbenzamide
SMILESCC(C1CC1)N(C)C(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C13H16F2N2O/c1-7(8-3-4-8)17(2)13(18)10-5-9(14)6-11(16)12(10)15/h5-8H,3-4,16H2,1-2H3
InChIKeyGZPASOYYPWGCFQ-UHFFFAOYSA-N
XLogP2.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.42
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

N-(1-cyclopropylethyl)-2,5-difluoro-N-methyl-3-nitrobenzamide
CID 107121820
2-chloro-N-(1-cyclopropylethyl)-5-fluoro-N-methylpyridine-3-carboxamide
CID 103891975
3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide
CID 107121456
3-amino-N-(4,4-dimethylcyclohexyl)-2,5-difluoro-N-methylbenzamide
CID 107121249
3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide
CID 43568628
5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide
CID 60724229
3-amino-2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide
CID 113366949
4-amino-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide
CID 81242644
3-amino-2,5-difluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 107120689
2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide
CID 60822171
4-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide
CID 43420563
4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide
CID 107074108

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopropylethyl)-2,5-difluoro-N-methylbenzamide?
The IUPAC name of 3-amino-N-(1-cyclopropylethyl)-2,5-difluoro-N-methylbenzamide (CID 107120546) is 3-amino-N-(1-cyclopropylethyl)-2,5-difluoro-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-(1-cyclopropylethyl)-2,5-difluoro-N-methylbenzamide?
The canonical SMILES for 3-amino-N-(1-cyclopropylethyl)-2,5-difluoro-N-methylbenzamide is CC(C1CC1)N(C)C(=O)c1cc(F)cc(N)c1F.
What is the InChIKey of 3-amino-N-(1-cyclopropylethyl)-2,5-difluoro-N-methylbenzamide?
The InChIKey is GZPASOYYPWGCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-7(8-3-4-8)17(2)13(18)10-5-9(14)6-11(16)12(10)15/h5-8H,3-4,16H2,1-2H3.
What are the key properties of 3-amino-N-(1-cyclopropylethyl)-2,5-difluoro-N-methylbenzamide?
3-amino-N-(1-cyclopropylethyl)-2,5-difluoro-N-methylbenzamide has a molecular weight of 254.28 g/mol, XLogP of 2.42, 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)-2,5-difluoro-N-methylbenzamide is sourced from PubChem (CID 107120546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).