5-amino-2,4-difluoro-N-methyl-N-propylbenzamide

C11H14F2N2O — CID 61095171

IUPAC5-amino-2,4-difluoro-N-methyl-N-propylbenzamide
SMILESCCCN(C)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C11H14F2N2O/c1-3-4-15(2)11(16)7-5-10(14)9(13)6-8(7)12/h5-6H,3-4,14H2,1-2H3
InChIKeyIOPRGCIILQVEFD-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.03
Rot. Bonds3

About 5-amino-2,4-difluoro-N-methyl-N-propylbenzamide

5-amino-2,4-difluoro-N-methyl-N-propylbenzamide (PubChem CID 61095171) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-methyl-N-propylbenzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-methyl-N-propylbenzamide
PubChem CID61095171
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name5-amino-2,4-difluoro-N-methyl-N-propylbenzamide
SMILESCCCN(C)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C11H14F2N2O/c1-3-4-15(2)11(16)7-5-10(14)9(13)6-8(7)12/h5-6H,3-4,14H2,1-2H3
InChIKeyIOPRGCIILQVEFD-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 ≤ 500228.24
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

5-amino-N-butyl-2,4-difluoro-N-methylbenzamide
CID 61091185
5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide
CID 63693725
5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197364
5-amino-N,N-dibutyl-2,4-difluorobenzamide
CID 61095334
5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63207024
4-bromo-2-fluoro-N-methyl-N-propylbenzamide
CID 43271494
5-amino-2,4-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 61108974
5-amino-2,4-difluoro-N,N-bis(2-methoxyethyl)benzamide
CID 61095461
5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63726220
5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide
CID 61094085
5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide
CID 61093784
5-amino-2,4-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 61093096

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-methyl-N-propylbenzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-methyl-N-propylbenzamide (CID 61095171) is 5-amino-2,4-difluoro-N-methyl-N-propylbenzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-methyl-N-propylbenzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-methyl-N-propylbenzamide is CCCN(C)C(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-methyl-N-propylbenzamide?
The InChIKey is IOPRGCIILQVEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-3-4-15(2)11(16)7-5-10(14)9(13)6-8(7)12/h5-6H,3-4,14H2,1-2H3.
What are the key properties of 5-amino-2,4-difluoro-N-methyl-N-propylbenzamide?
5-amino-2,4-difluoro-N-methyl-N-propylbenzamide has a molecular weight of 228.24 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 5-amino-2,4-difluoro-N-methyl-N-propylbenzamide is sourced from PubChem (CID 61095171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).