3-[2-(dimethylamino)propyl]-2-fluorobenzamide

C12H17FN2O — CID 175982986

IUPAC3-[2-(dimethylamino)propyl]-2-fluorobenzamide
SMILESCC(Cc1cccc(C(N)=O)c1F)N(C)C
InChIInChI=1S/C12H17FN2O/c1-8(15(2)3)7-9-5-4-6-10(11(9)13)12(14)16/h4-6,8H,7H2,1-3H3,(H2,14,16)
InChIKeyGTESIZPXXBXHMI-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.42
Rot. Bonds4

About 3-[2-(dimethylamino)propyl]-2-fluorobenzamide

3-[2-(dimethylamino)propyl]-2-fluorobenzamide (PubChem CID 175982986) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-[2-(dimethylamino)propyl]-2-fluorobenzamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)propyl]-2-fluorobenzamide
PubChem CID175982986
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name3-[2-(dimethylamino)propyl]-2-fluorobenzamide
SMILESCC(Cc1cccc(C(N)=O)c1F)N(C)C
InChIInChI=1S/C12H17FN2O/c1-8(15(2)3)7-9-5-4-6-10(11(9)13)12(14)16/h4-6,8H,7H2,1-3H3,(H2,14,16)
InChIKeyGTESIZPXXBXHMI-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2S)-3-amino-2-(dimethylamino)propyl]-2,3-difluorobenzamide
CID 165405448
3-ethyl-2-fluorobenzenecarboperoxoic acid
CID 22459800
2-[(3-carbamothioyl-2-fluorophenyl)methyl-methylamino]acetamide
CID 107115327
2-fluoro-3-[[methyl(2-methylpropyl)amino]methyl]benzenecarbothioamide
CID 107115321
2,3-diethylbenzamide;hydrofluoride
CID 175203586
3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorobenzenecarbothioamide
CID 107115742
3-carbamoyl-2-fluorobenzoic acid
CID 91004020
2-[(2R)-2-aminobutyl]benzamide
CID 96928036
3-[[butan-2-yl(methyl)amino]methyl]-2-fluorobenzenecarboximidamide
CID 107117756
2-bromo-1-[3-(bromomethyl)-2-fluorophenyl]propan-1-one
CID 130924550
2-fluoro-3-[(N-methylanilino)methyl]benzoic acid
CID 107119323
2-methyl-3-propylbenzamide
CID 66693156

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)propyl]-2-fluorobenzamide?
The IUPAC name of 3-[2-(dimethylamino)propyl]-2-fluorobenzamide (CID 175982986) is 3-[2-(dimethylamino)propyl]-2-fluorobenzamide.
What is the SMILES notation for 3-[2-(dimethylamino)propyl]-2-fluorobenzamide?
The canonical SMILES for 3-[2-(dimethylamino)propyl]-2-fluorobenzamide is CC(Cc1cccc(C(N)=O)c1F)N(C)C.
What is the InChIKey of 3-[2-(dimethylamino)propyl]-2-fluorobenzamide?
The InChIKey is GTESIZPXXBXHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-8(15(2)3)7-9-5-4-6-10(11(9)13)12(14)16/h4-6,8H,7H2,1-3H3,(H2,14,16).
What are the key properties of 3-[2-(dimethylamino)propyl]-2-fluorobenzamide?
3-[2-(dimethylamino)propyl]-2-fluorobenzamide has a molecular weight of 224.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)propyl]-2-fluorobenzamide is sourced from PubChem (CID 175982986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).