5-amino-2,4-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide

C14H18F2N2O2S — CID 61106576

IUPAC5-amino-2,4-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
SMILESCOCCN(C(=O)c1cc(N)c(F)cc1F)C1CCSC1
InChIInChI=1S/C14H18F2N2O2S/c1-20-4-3-18(9-2-5-21-8-9)14(19)10-6-13(17)12(16)7-11(10)15/h6-7,9H,2-5,8,17H2,1H3
InChIKeyKRHQJHNFWISAQJ-UHFFFAOYSA-N
MW316.37 g/mol
LogP2.14
Rot. Bonds5

About 5-amino-2,4-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide

5-amino-2,4-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide (PubChem CID 61106576) has the molecular formula C14H18F2N2O2S and a molecular weight of 316.37 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
PubChem CID61106576
Molecular FormulaC14H18F2N2O2S
Molecular Weight316.37 g/mol
Exact Mass316.11
IUPAC Name5-amino-2,4-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
SMILESCOCCN(C(=O)c1cc(N)c(F)cc1F)C1CCSC1
InChIInChI=1S/C14H18F2N2O2S/c1-20-4-3-18(9-2-5-21-8-9)14(19)10-6-13(17)12(16)7-11(10)15/h6-7,9H,2-5,8,17H2,1H3
InChIKeyKRHQJHNFWISAQJ-UHFFFAOYSA-N
XLogP2.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide (CID 61106576) is 5-amino-2,4-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide is COCCN(C(=O)c1cc(N)c(F)cc1F)C1CCSC1.
What is the InChIKey of 5-amino-2,4-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
The InChIKey is KRHQJHNFWISAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2S/c1-20-4-3-18(9-2-5-21-8-9)14(19)10-6-13(17)12(16)7-11(10)15/h6-7,9H,2-5,8,17H2,1H3.
What are the key properties of 5-amino-2,4-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
5-amino-2,4-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide has a molecular weight of 316.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 61106576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).