5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide

C11H15FN2OS — CID 63980674

IUPAC5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
SMILESCSCCCNC(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H15FN2OS/c1-16-6-2-5-14-11(15)9-7-8(13)3-4-10(9)12/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeyDTGRXMQHFJAKMK-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.89
Rot. Bonds5

About 5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide

5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide (PubChem CID 63980674) has the molecular formula C11H15FN2OS and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
PubChem CID63980674
Molecular FormulaC11H15FN2OS
Molecular Weight242.32 g/mol
Exact Mass242.09
IUPAC Name5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
SMILESCSCCCNC(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H15FN2OS/c1-16-6-2-5-14-11(15)9-7-8(13)3-4-10(9)12/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeyDTGRXMQHFJAKMK-UHFFFAOYSA-N
XLogP1.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.89
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

5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide
CID 113487135
4-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980672
5-amino-N-butyl-2-fluorobenzamide
CID 43510823
5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide
CID 43510918
5-amino-2-fluoro-N-hexylbenzamide
CID 61113619
2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63983038
2-fluoro-N-(5-methylsulfanylpentyl)-5-sulfanylbenzamide
CID 114129326
3-[4-fluoro-3-(3-methylsulfanylpropylcarbamoyl)phenyl]prop-2-enoic acid
CID 76996669
4-amino-N-(3-methylsulfanylpropyl)benzamide
CID 63981762
methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate
CID 43665877
2-fluoro-N-(5-methylsulfanylpentyl)benzamide
CID 104920148
5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide
CID 114536137

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide?
The IUPAC name of 5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide (CID 63980674) is 5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide is CSCCCNC(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide?
The InChIKey is DTGRXMQHFJAKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2OS/c1-16-6-2-5-14-11(15)9-7-8(13)3-4-10(9)12/h3-4,7H,2,5-6,13H2,1H3,(H,14,15).
What are the key properties of 5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide?
5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide has a molecular weight of 242.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 63980674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).