3-amino-N-butyl-2,5-difluorobenzamide

C11H14F2N2O — CID 107120407

IUPAC3-amino-N-butyl-2,5-difluorobenzamide
SMILESCCCCNC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C11H14F2N2O/c1-2-3-4-15-11(16)8-5-7(12)6-9(14)10(8)13/h5-6H,2-4,14H2,1H3,(H,15,16)
InChIKeyDYIDTHNDOWRPSC-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.08
Rot. Bonds4

About 3-amino-N-butyl-2,5-difluorobenzamide

3-amino-N-butyl-2,5-difluorobenzamide (PubChem CID 107120407) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 3-amino-N-butyl-2,5-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-butyl-2,5-difluorobenzamide
PubChem CID107120407
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name3-amino-N-butyl-2,5-difluorobenzamide
SMILESCCCCNC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C11H14F2N2O/c1-2-3-4-15-11(16)8-5-7(12)6-9(14)10(8)13/h5-6H,2-4,14H2,1H3,(H,15,16)
InChIKeyDYIDTHNDOWRPSC-UHFFFAOYSA-N
XLogP2.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide
CID 114145958
3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide
CID 107843161
3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide
CID 107121095
3-amino-2,5-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 107120993
3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 107121499
3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide
CID 107121143
3-amino-2,5-difluoro-N-hexan-3-ylbenzamide
CID 107120973
3-amino-2,5-difluoro-N-methyl-N-pentylbenzamide
CID 107120492
5-amino-2-fluoro-3-methyl-N-pentylbenzamide
CID 103295782
5-amino-N-butyl-2-fluorobenzamide
CID 43510823
3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide
CID 107120916
N-butyl-2,4,5-trifluoro-3-methoxybenzamide
CID 91730406

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-2,5-difluorobenzamide?
The IUPAC name of 3-amino-N-butyl-2,5-difluorobenzamide (CID 107120407) is 3-amino-N-butyl-2,5-difluorobenzamide.
What is the SMILES notation for 3-amino-N-butyl-2,5-difluorobenzamide?
The canonical SMILES for 3-amino-N-butyl-2,5-difluorobenzamide is CCCCNC(=O)c1cc(F)cc(N)c1F.
What is the InChIKey of 3-amino-N-butyl-2,5-difluorobenzamide?
The InChIKey is DYIDTHNDOWRPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-2-3-4-15-11(16)8-5-7(12)6-9(14)10(8)13/h5-6H,2-4,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-butyl-2,5-difluorobenzamide?
3-amino-N-butyl-2,5-difluorobenzamide has a molecular weight of 228.24 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-2,5-difluorobenzamide is sourced from PubChem (CID 107120407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).