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

C12H14F2N2OS — CID 63187509

IUPAC4-amino-3,5-difluoro-N-methyl-N-(thiolan-3-yl)benzamide
SMILESCN(C(=O)c1cc(F)c(N)c(F)c1)C1CCSC1
InChIInChI=1S/C12H14F2N2OS/c1-16(8-2-3-18-6-8)12(17)7-4-9(13)11(15)10(14)5-7/h4-5,8H,2-3,6,15H2,1H3
InChIKeyKSBQXNVOFQGMTH-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.12
Rot. Bonds2

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

4-amino-3,5-difluoro-N-methyl-N-(thiolan-3-yl)benzamide (PubChem CID 63187509) has the molecular formula C12H14F2N2OS and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-methyl-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-methyl-N-(thiolan-3-yl)benzamide
PubChem CID63187509
Molecular FormulaC12H14F2N2OS
Molecular Weight272.32 g/mol
Exact Mass272.08
IUPAC Name4-amino-3,5-difluoro-N-methyl-N-(thiolan-3-yl)benzamide
SMILESCN(C(=O)c1cc(F)c(N)c(F)c1)C1CCSC1
InChIInChI=1S/C12H14F2N2OS/c1-16(8-2-3-18-6-8)12(17)7-4-9(13)11(15)10(14)5-7/h4-5,8H,2-3,6,15H2,1H3
InChIKeyKSBQXNVOFQGMTH-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-fluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 62679843
3-amino-4-fluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 43437025
4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide
CID 55158665
5-amino-2,4-difluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 61093800
3-amino-4,5-dichloro-N-methyl-N-(thiolan-3-yl)benzamide
CID 61093211
4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 55160806
3-amino-4-chloro-N-methyl-N-(thiolan-3-yl)benzamide
CID 43296251
2-amino-6-ethyl-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 113380992
4-amino-3-chloro-N-methyl-5-nitro-N-(thiolan-3-yl)benzamide
CID 62156139
3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide
CID 43296951
3-iodo-N-methyl-N-(thiolan-3-yl)benzamide
CID 55137571
3-amino-N-methyl-4-nitro-N-(thiolan-3-yl)benzamide
CID 62682848

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-methyl-N-(thiolan-3-yl)benzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-methyl-N-(thiolan-3-yl)benzamide (CID 63187509) is 4-amino-3,5-difluoro-N-methyl-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-methyl-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-methyl-N-(thiolan-3-yl)benzamide is CN(C(=O)c1cc(F)c(N)c(F)c1)C1CCSC1.
What is the InChIKey of 4-amino-3,5-difluoro-N-methyl-N-(thiolan-3-yl)benzamide?
The InChIKey is KSBQXNVOFQGMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2OS/c1-16(8-2-3-18-6-8)12(17)7-4-9(13)11(15)10(14)5-7/h4-5,8H,2-3,6,15H2,1H3.
What are the key properties of 4-amino-3,5-difluoro-N-methyl-N-(thiolan-3-yl)benzamide?
4-amino-3,5-difluoro-N-methyl-N-(thiolan-3-yl)benzamide has a molecular weight of 272.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-difluoro-N-methyl-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 63187509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).