3,4-difluoro-N-(2-hydroxyethoxy)benzamide;4-ethenyl-2-fluoroaniline

C17H17F3N2O3 — CID 142266275

IUPAC3,4-difluoro-N-(2-hydroxyethoxy)benzamide;4-ethenyl-2-fluoroaniline
SMILESC=Cc1ccc(N)c(F)c1.O=C(NOCCO)c1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2NO3.C8H8FN/c10-7-2-1-6(5-8(7)11)9(14)12-15-4-3-13;1-2-6-3-4-8(10)7(9)5-6/h1-2,5,13H,3-4H2,(H,12,14);2-5H,1,10H2
InChIKeyWKXFWYGDANQEDP-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.67
Rot. Bonds5

About 3,4-difluoro-N-(2-hydroxyethoxy)benzamide;4-ethenyl-2-fluoroaniline

3,4-difluoro-N-(2-hydroxyethoxy)benzamide;4-ethenyl-2-fluoroaniline (PubChem CID 142266275) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-hydroxyethoxy)benzamide;4-ethenyl-2-fluoroaniline.

Molecular Properties

Compound Name3,4-difluoro-N-(2-hydroxyethoxy)benzamide;4-ethenyl-2-fluoroaniline
PubChem CID142266275
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC Name3,4-difluoro-N-(2-hydroxyethoxy)benzamide;4-ethenyl-2-fluoroaniline
SMILESC=Cc1ccc(N)c(F)c1.O=C(NOCCO)c1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2NO3.C8H8FN/c10-7-2-1-6(5-8(7)11)9(14)12-15-4-3-13;1-2-6-3-4-8(10)7(9)5-6/h1-2,5,13H,3-4H2,(H,12,14);2-5H,1,10H2
InChIKeyWKXFWYGDANQEDP-UHFFFAOYSA-N
XLogP2.67
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.67
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-(2-hydroxyethoxy)benzamide
CID 142266276
3,4-difluoro-N-(2-hydroxypropoxy)benzamide
CID 87738823
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83176506
4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151971
1-(4-amino-3-fluorophenyl)but-3-en-1-one
CID 116547167
3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide
CID 79672875
2-methoxyethyl 4-amino-3-fluorobenzoate
CID 62681168
4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 62679848
5-hydroxypentyl 4-amino-3-fluorobenzoate
CID 55103413
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
3-amino-4-fluorobenzohydrazide;hydrochloride
CID 131133629
4-ethenylbenzene-1,2-diamine
CID 18400401

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-hydroxyethoxy)benzamide;4-ethenyl-2-fluoroaniline?
The IUPAC name of 3,4-difluoro-N-(2-hydroxyethoxy)benzamide;4-ethenyl-2-fluoroaniline (CID 142266275) is 3,4-difluoro-N-(2-hydroxyethoxy)benzamide;4-ethenyl-2-fluoroaniline.
What is the SMILES notation for 3,4-difluoro-N-(2-hydroxyethoxy)benzamide;4-ethenyl-2-fluoroaniline?
The canonical SMILES for 3,4-difluoro-N-(2-hydroxyethoxy)benzamide;4-ethenyl-2-fluoroaniline is C=Cc1ccc(N)c(F)c1.O=C(NOCCO)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(2-hydroxyethoxy)benzamide;4-ethenyl-2-fluoroaniline?
The InChIKey is WKXFWYGDANQEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3.C8H8FN/c10-7-2-1-6(5-8(7)11)9(14)12-15-4-3-13;1-2-6-3-4-8(10)7(9)5-6/h1-2,5,13H,3-4H2,(H,12,14);2-5H,1,10H2.
What are the key properties of 3,4-difluoro-N-(2-hydroxyethoxy)benzamide;4-ethenyl-2-fluoroaniline?
3,4-difluoro-N-(2-hydroxyethoxy)benzamide;4-ethenyl-2-fluoroaniline has a molecular weight of 354.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(2-hydroxyethoxy)benzamide;4-ethenyl-2-fluoroaniline is sourced from PubChem (CID 142266275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).