2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide

C12H17FN2O — CID 103512650

IUPAC2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1cccc(C)c1F
InChIInChI=1S/C12H17FN2O/c1-8-5-4-6-10(11(8)13)12(16)15-7-9(2)14-3/h4-6,9,14H,7H2,1-3H3,(H,15,16)
InChIKeyBHWNUUROGTXQIY-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.47
Rot. Bonds4

About 2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide

2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide (PubChem CID 103512650) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
PubChem CID103512650
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1cccc(C)c1F
InChIInChI=1S/C12H17FN2O/c1-8-5-4-6-10(11(8)13)12(16)15-7-9(2)14-3/h4-6,9,14H,7H2,1-3H3,(H,15,16)
InChIKeyBHWNUUROGTXQIY-UHFFFAOYSA-N
XLogP1.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 120831181
2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120827825
5-fluoro-2-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512684
5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82682663
3-methyl-N-[2-(methylamino)propyl]-2-nitrobenzamide;hydrochloride
CID 120828085
N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide
CID 80712461
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 119527349
N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride
CID 120831488
N-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide
CID 107158406
2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 80718351
2-fluoro-3-methyl-N-prop-2-ynylbenzamide
CID 80717864
N-(4-bromobutan-2-yl)-2-fluoro-3-methylbenzamide
CID 83179699

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide (CID 103512650) is 2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide is CNC(C)CNC(=O)c1cccc(C)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide?
The InChIKey is BHWNUUROGTXQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-8-5-4-6-10(11(8)13)12(16)15-7-9(2)14-3/h4-6,9,14H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide?
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide has a molecular weight of 224.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide is sourced from PubChem (CID 103512650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).