5-amino-N,N-dibutyl-2,4-difluorobenzamide

C15H22F2N2O — CID 61095334

IUPAC5-amino-N,N-dibutyl-2,4-difluorobenzamide
SMILESCCCCN(CCCC)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C15H22F2N2O/c1-3-5-7-19(8-6-4-2)15(20)11-9-14(18)13(17)10-12(11)16/h9-10H,3-8,18H2,1-2H3
InChIKeyBOGSMOHGGGTFBS-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.59
Rot. Bonds7

About 5-amino-N,N-dibutyl-2,4-difluorobenzamide

5-amino-N,N-dibutyl-2,4-difluorobenzamide (PubChem CID 61095334) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 5-amino-N,N-dibutyl-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-amino-N,N-dibutyl-2,4-difluorobenzamide
PubChem CID61095334
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name5-amino-N,N-dibutyl-2,4-difluorobenzamide
SMILESCCCCN(CCCC)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C15H22F2N2O/c1-3-5-7-19(8-6-4-2)15(20)11-9-14(18)13(17)10-12(11)16/h9-10H,3-8,18H2,1-2H3
InChIKeyBOGSMOHGGGTFBS-UHFFFAOYSA-N
XLogP3.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.59
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-2-bromo-N,N-dibutyl-4-fluorobenzamide
CID 62815244
5-amino-N-butyl-2,4-difluoro-N-methylbenzamide
CID 61091185
5-amino-2,4-difluoro-N,N-bis(2-methoxyethyl)benzamide
CID 61095461
5-amino-2,4-difluoro-N-methyl-N-propylbenzamide
CID 61095171
5-amino-N-butyl-4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzamide
CID 62160550
5-amino-2-bromo-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide
CID 62815261
5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide
CID 61094085
5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide
CID 63693725
5-amino-2,4-difluoro-N-hexylbenzamide
CID 61113245
5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197364
N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide
CID 102885358
N-(2-bromoethyl)-N-butyl-2,4,5-trifluoro-3-hydroxybenzamide
CID 80659762

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-dibutyl-2,4-difluorobenzamide?
The IUPAC name of 5-amino-N,N-dibutyl-2,4-difluorobenzamide (CID 61095334) is 5-amino-N,N-dibutyl-2,4-difluorobenzamide.
What is the SMILES notation for 5-amino-N,N-dibutyl-2,4-difluorobenzamide?
The canonical SMILES for 5-amino-N,N-dibutyl-2,4-difluorobenzamide is CCCCN(CCCC)C(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-N,N-dibutyl-2,4-difluorobenzamide?
The InChIKey is BOGSMOHGGGTFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-3-5-7-19(8-6-4-2)15(20)11-9-14(18)13(17)10-12(11)16/h9-10H,3-8,18H2,1-2H3.
What are the key properties of 5-amino-N,N-dibutyl-2,4-difluorobenzamide?
5-amino-N,N-dibutyl-2,4-difluorobenzamide has a molecular weight of 284.35 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-dibutyl-2,4-difluorobenzamide is sourced from PubChem (CID 61095334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).