3-amino-2,5-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide

C11H14F2N2O3 — CID 107120993

IUPAC3-amino-2,5-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
SMILESNc1cc(F)cc(C(=O)NCCOCCO)c1F
InChIInChI=1S/C11H14F2N2O3/c12-7-5-8(10(13)9(14)6-7)11(17)15-1-3-18-4-2-16/h5-6,16H,1-4,14H2,(H,15,17)
InChIKeySCICFWMRAKSQDR-UHFFFAOYSA-N
MW260.24 g/mol
LogP0.29
Rot. Bonds6

About 3-amino-2,5-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide

3-amino-2,5-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide (PubChem CID 107120993) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
PubChem CID107120993
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Name3-amino-2,5-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
SMILESNc1cc(F)cc(C(=O)NCCOCCO)c1F
InChIInChI=1S/C11H14F2N2O3/c12-7-5-8(10(13)9(14)6-7)11(17)15-1-3-18-4-2-16/h5-6,16H,1-4,14H2,(H,15,17)
InChIKeySCICFWMRAKSQDR-UHFFFAOYSA-N
XLogP0.29
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 107121499
3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide
CID 107843161
3-amino-N-butyl-2,5-difluorobenzamide
CID 107120407
3-amino-2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 79773667
3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide
CID 107121095
3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide
CID 114145958
3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654478
2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide
CID 82816311
5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide
CID 113364744
3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 107121133
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 55083724
3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308320

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The IUPAC name of 3-amino-2,5-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide (CID 107120993) is 3-amino-2,5-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide is Nc1cc(F)cc(C(=O)NCCOCCO)c1F.
What is the InChIKey of 3-amino-2,5-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The InChIKey is SCICFWMRAKSQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c12-7-5-8(10(13)9(14)6-7)11(17)15-1-3-18-4-2-16/h5-6,16H,1-4,14H2,(H,15,17).
What are the key properties of 3-amino-2,5-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
3-amino-2,5-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide has a molecular weight of 260.24 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide is sourced from PubChem (CID 107120993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).