2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide

C11H14F2N2OS — CID 63983038

IUPAC2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide
SMILESCSCCCNC(=O)c1cc(F)c(F)cc1N
InChIInChI=1S/C11H14F2N2OS/c1-17-4-2-3-15-11(16)7-5-8(12)9(13)6-10(7)14/h5-6H,2-4,14H2,1H3,(H,15,16)
InChIKeyRYHUXQQOITZTHQ-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.03
Rot. Bonds5

About 2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide

2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide (PubChem CID 63983038) has the molecular formula C11H14F2N2OS and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide
PubChem CID63983038
Molecular FormulaC11H14F2N2OS
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide
SMILESCSCCCNC(=O)c1cc(F)c(F)cc1N
InChIInChI=1S/C11H14F2N2OS/c1-17-4-2-3-15-11(16)7-5-8(12)9(13)6-10(7)14/h5-6H,2-4,14H2,1H3,(H,15,16)
InChIKeyRYHUXQQOITZTHQ-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980672
3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide
CID 63957570
5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980674
2-amino-4,5-difluoro-N-(4-hydroxypentyl)benzamide
CID 106118883
2,5-difluoro-N-(3-methylsulfanylpropyl)-4-nitrobenzamide
CID 104699391
5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide
CID 113487135
2-amino-N-(3-methylsulfanylpropyl)-5-nitrobenzamide
CID 63961663
2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride
CID 119944236
3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide
CID 122142996
2-fluoro-N-(5-methylsulfanylpentyl)benzamide
CID 104920148
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfanylpropyl)benzamide
CID 63960542
4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63982394

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide?
The IUPAC name of 2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide (CID 63983038) is 2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide?
The canonical SMILES for 2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide is CSCCCNC(=O)c1cc(F)c(F)cc1N.
What is the InChIKey of 2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide?
The InChIKey is RYHUXQQOITZTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2OS/c1-17-4-2-3-15-11(16)7-5-8(12)9(13)6-10(7)14/h5-6H,2-4,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide?
2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide has a molecular weight of 260.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 63983038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).