3-amino-5-fluoro-4-methyl-N-propylbenzamide

C11H15FN2O — CID 60861174

IUPAC3-amino-5-fluoro-4-methyl-N-propylbenzamide
SMILESCCCNC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C11H15FN2O/c1-3-4-14-11(15)8-5-9(12)7(2)10(13)6-8/h5-6H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyJSSLUAQFRFMODY-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.86
Rot. Bonds3

About 3-amino-5-fluoro-4-methyl-N-propylbenzamide

3-amino-5-fluoro-4-methyl-N-propylbenzamide (PubChem CID 60861174) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-propylbenzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-propylbenzamide
PubChem CID60861174
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name3-amino-5-fluoro-4-methyl-N-propylbenzamide
SMILESCCCNC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C11H15FN2O/c1-3-4-14-11(15)8-5-9(12)7(2)10(13)6-8/h5-6H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyJSSLUAQFRFMODY-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-4-methyl-N-octylbenzamide
CID 115565945
3-amino-5-fluoro-N-hexyl-4-methylbenzamide
CID 61111175
3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide
CID 60860849
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide
CID 61103510
3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 60861030
methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate
CID 54927669
3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 60862693
3-amino-5-fluoro-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 115597811
3-amino-5-fluoro-4-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 61117318
3-amino-5-fluoro-4-methyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 114187122
3,5-diamino-N-propylbenzamide
CID 20701636
3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide
CID 62092742

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-propylbenzamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-propylbenzamide (CID 60861174) is 3-amino-5-fluoro-4-methyl-N-propylbenzamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-propylbenzamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-propylbenzamide is CCCNC(=O)c1cc(N)c(C)c(F)c1.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-propylbenzamide?
The InChIKey is JSSLUAQFRFMODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-3-4-14-11(15)8-5-9(12)7(2)10(13)6-8/h5-6H,3-4,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-5-fluoro-4-methyl-N-propylbenzamide?
3-amino-5-fluoro-4-methyl-N-propylbenzamide has a molecular weight of 210.25 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-propylbenzamide is sourced from PubChem (CID 60861174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).