5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide

C11H12F2N2O — CID 61093784

IUPAC5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide
SMILESCN(C(=O)c1cc(N)c(F)cc1F)C1CC1
InChIInChI=1S/C11H12F2N2O/c1-15(6-2-3-6)11(16)7-4-10(14)9(13)5-8(7)12/h4-6H,2-3,14H2,1H3
InChIKeyBKWYSSBVBOBMHT-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.78
Rot. Bonds2

About 5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide

5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide (PubChem CID 61093784) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide
PubChem CID61093784
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide
SMILESCN(C(=O)c1cc(N)c(F)cc1F)C1CC1
InChIInChI=1S/C11H12F2N2O/c1-15(6-2-3-6)11(16)7-4-10(14)9(13)5-8(7)12/h4-6H,2-3,14H2,1H3
InChIKeyBKWYSSBVBOBMHT-UHFFFAOYSA-N
XLogP1.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.78
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

5-amino-N-cyclopentyl-2,4-difluoro-N-methylbenzamide
CID 61093983
5-amino-2,4-difluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 61093800
5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 62814554
5-amino-N-cyclohexyl-4-fluoro-N-methyl-2-nitrobenzamide
CID 62156412
N-cyclopropyl-2-fluoro-4-hydroxy-N-methylbenzamide
CID 103940160
5-amino-N-cyclohexyl-2-fluoro-N-methylbenzamide
CID 43510713
4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65373711
3-amino-N-cyclobutyl-4-fluoro-N-methylbenzamide
CID 115739588
5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63726220
5-amino-2,4-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 61093096
5-amino-2,4-difluoro-N-methyl-N-propylbenzamide
CID 61095171
5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
CID 115649144

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide?
The IUPAC name of 5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide (CID 61093784) is 5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide?
The canonical SMILES for 5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide is CN(C(=O)c1cc(N)c(F)cc1F)C1CC1.
What is the InChIKey of 5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide?
The InChIKey is BKWYSSBVBOBMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c1-15(6-2-3-6)11(16)7-4-10(14)9(13)5-8(7)12/h4-6H,2-3,14H2,1H3.
What are the key properties of 5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide?
5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide has a molecular weight of 226.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide is sourced from PubChem (CID 61093784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).