5-amino-2-fluoro-3-methyl-N-(1-phenylpropyl)benzamide

C17H19FN2O — CID 103296385

IUPAC5-amino-2-fluoro-3-methyl-N-(1-phenylpropyl)benzamide
SMILESCCC(NC(=O)c1cc(N)cc(C)c1F)c1ccccc1
InChIInChI=1S/C17H19FN2O/c1-3-15(12-7-5-4-6-8-12)20-17(21)14-10-13(19)9-11(2)16(14)18/h4-10,15H,3,19H2,1-2H3,(H,20,21)
InChIKeyLUXFAKCFUWVMNV-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.60
Rot. Bonds4

About 5-amino-2-fluoro-3-methyl-N-(1-phenylpropyl)benzamide

5-amino-2-fluoro-3-methyl-N-(1-phenylpropyl)benzamide (PubChem CID 103296385) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-amino-2-fluoro-3-methyl-N-(1-phenylpropyl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-3-methyl-N-(1-phenylpropyl)benzamide
PubChem CID103296385
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name5-amino-2-fluoro-3-methyl-N-(1-phenylpropyl)benzamide
SMILESCCC(NC(=O)c1cc(N)cc(C)c1F)c1ccccc1
InChIInChI=1S/C17H19FN2O/c1-3-15(12-7-5-4-6-8-12)20-17(21)14-10-13(19)9-11(2)16(14)18/h4-10,15H,3,19H2,1-2H3,(H,20,21)
InChIKeyLUXFAKCFUWVMNV-UHFFFAOYSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.60
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

5-amino-2-fluoro-3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 103296531
3,4,5-trifluoro-N-(1-phenylpropyl)benzamide
CID 63189526
5-amino-N-[1-(3-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296176
3-amino-4-methyl-N-(1-phenylpropyl)benzamide
CID 62304004
2-methyl-N-(1-phenylpropyl)-5-sulfanylbenzamide
CID 107028146
4-amino-6-methyl-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 81241004
3-amino-2,6-difluoro-N-(1-phenylpropyl)benzamide
CID 79760394
4,5-dimethoxy-2-methyl-N-(1-phenylpropyl)benzamide
CID 56728755
5-amino-N-(4-amino-4-oxobutan-2-yl)-2-fluoro-3-methylbenzamide
CID 103296858
5-amino-N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296055
2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide
CID 75496576
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-3-methyl-N-(1-phenylpropyl)benzamide?
The IUPAC name of 5-amino-2-fluoro-3-methyl-N-(1-phenylpropyl)benzamide (CID 103296385) is 5-amino-2-fluoro-3-methyl-N-(1-phenylpropyl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-3-methyl-N-(1-phenylpropyl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-3-methyl-N-(1-phenylpropyl)benzamide is CCC(NC(=O)c1cc(N)cc(C)c1F)c1ccccc1.
What is the InChIKey of 5-amino-2-fluoro-3-methyl-N-(1-phenylpropyl)benzamide?
The InChIKey is LUXFAKCFUWVMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-3-15(12-7-5-4-6-8-12)20-17(21)14-10-13(19)9-11(2)16(14)18/h4-10,15H,3,19H2,1-2H3,(H,20,21).
What are the key properties of 5-amino-2-fluoro-3-methyl-N-(1-phenylpropyl)benzamide?
5-amino-2-fluoro-3-methyl-N-(1-phenylpropyl)benzamide has a molecular weight of 286.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-3-methyl-N-(1-phenylpropyl)benzamide is sourced from PubChem (CID 103296385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).