N-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide

C10H10BrFN2OS — CID 107951195

IUPACN-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide
SMILESCN(CC(N)=S)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C10H10BrFN2OS/c1-14(5-9(13)16)10(15)6-2-3-8(12)7(11)4-6/h2-4H,5H2,1H3,(H2,13,16)
InChIKeyFGUSMVINUPYLPI-UHFFFAOYSA-N
MW305.17 g/mol
LogP1.95
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide

N-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide (PubChem CID 107951195) has the molecular formula C10H10BrFN2OS and a molecular weight of 305.17 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide
PubChem CID107951195
Molecular FormulaC10H10BrFN2OS
Molecular Weight305.17 g/mol
Exact Mass303.97
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide
SMILESCN(CC(N)=S)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C10H10BrFN2OS/c1-14(5-9(13)16)10(15)6-2-3-8(12)7(11)4-6/h2-4H,5H2,1H3,(H2,13,16)
InChIKeyFGUSMVINUPYLPI-UHFFFAOYSA-N
XLogP1.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(3-bromo-4-fluorobenzoyl)-methylamino]acetate
CID 103706657
3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
CID 103706525
N,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide
CID 103707264
3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
CID 103706992
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-bromo-4-fluoro-N-methylbenzamide
CID 107956485
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-bromo-N-ethyl-4-fluorobenzamide
CID 107951184
3-bromo-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 103706385
3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300854
methyl 3-[(3-bromo-4-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 103707468
N-(3-amino-3-sulfanylidenepropyl)-3-bromo-4-fluoro-N-(2-methylpropyl)benzamide
CID 107951193
N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide
CID 79466936
N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 47210346

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide (CID 107951195) is N-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide is CN(CC(N)=S)C(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide?
The InChIKey is FGUSMVINUPYLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2OS/c1-14(5-9(13)16)10(15)6-2-3-8(12)7(11)4-6/h2-4H,5H2,1H3,(H2,13,16).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide?
N-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide has a molecular weight of 305.17 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 107951195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).