5-amino-N-butyl-2-fluoro-N-methylbenzamide

C12H17FN2O — CID 43510775

IUPAC5-amino-N-butyl-2-fluoro-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cc(N)ccc1F
InChIInChI=1S/C12H17FN2O/c1-3-4-7-15(2)12(16)10-8-9(14)5-6-11(10)13/h5-6,8H,3-4,7,14H2,1-2H3
InChIKeySLXFNZWEXBLTFE-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.28
Rot. Bonds4

About 5-amino-N-butyl-2-fluoro-N-methylbenzamide

5-amino-N-butyl-2-fluoro-N-methylbenzamide (PubChem CID 43510775) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-amino-N-butyl-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-butyl-2-fluoro-N-methylbenzamide
PubChem CID43510775
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name5-amino-N-butyl-2-fluoro-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cc(N)ccc1F
InChIInChI=1S/C12H17FN2O/c1-3-4-7-15(2)12(16)10-8-9(14)5-6-11(10)13/h5-6,8H,3-4,7,14H2,1-2H3
InChIKeySLXFNZWEXBLTFE-UHFFFAOYSA-N
XLogP2.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
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-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197368
5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79844796
5-amino-N-butyl-2,4-difluoro-N-methylbenzamide
CID 61091185
5-amino-N-butyl-2-fluoro-N-phenylbenzamide
CID 62056959
5-amino-N-[(4-ethylphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 43587026
5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 60913362
5-amino-2-methoxy-N-methyl-N-pentylbenzamide
CID 61093600
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
5-amino-N-butyl-2-fluorobenzamide
CID 43510823
5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 43510882
5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 54994795
5-amino-2-fluoro-N-hexylbenzamide
CID 61113619

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-amino-N-butyl-2-fluoro-N-methylbenzamide (CID 43510775) is 5-amino-N-butyl-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-amino-N-butyl-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-amino-N-butyl-2-fluoro-N-methylbenzamide is CCCCN(C)C(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-N-butyl-2-fluoro-N-methylbenzamide?
The InChIKey is SLXFNZWEXBLTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-3-4-7-15(2)12(16)10-8-9(14)5-6-11(10)13/h5-6,8H,3-4,7,14H2,1-2H3.
What are the key properties of 5-amino-N-butyl-2-fluoro-N-methylbenzamide?
5-amino-N-butyl-2-fluoro-N-methylbenzamide has a molecular weight of 224.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 43510775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).