N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide

C13H19FN2O — CID 82946104

IUPACN-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)CN(C)C)c1F
InChIInChI=1S/C13H19FN2O/c1-9-6-5-7-11(12(9)14)13(17)15-10(2)8-16(3)4/h5-7,10H,8H2,1-4H3,(H,15,17)
InChIKeyXNOPUQJARZBSCA-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.81
Rot. Bonds4

About N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide

N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide (PubChem CID 82946104) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide
PubChem CID82946104
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)CN(C)C)c1F
InChIInChI=1S/C13H19FN2O/c1-9-6-5-7-11(12(9)14)13(17)15-10(2)8-16(3)4/h5-7,10H,8H2,1-4H3,(H,15,17)
InChIKeyXNOPUQJARZBSCA-UHFFFAOYSA-N
XLogP1.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromobutan-2-yl)-2-fluoro-3-methylbenzamide
CID 83179699
2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide
CID 82938061
2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572
2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 82946038
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide
CID 82946219
N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide
CID 82950249
N-(4-amino-3-methylbutan-2-yl)-2-fluoro-3-methylbenzamide
CID 113485144
ethyl 2-[(2-fluoro-3-methylbenzoyl)amino]propanoate
CID 80717900
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512650
2-fluoro-3-methyl-N-propan-2-yloxybenzamide
CID 130778652
2-[1-(dimethylamino)propan-2-ylcarbamoyl]-4,5-difluorobenzoic acid
CID 82945428
N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 71976318

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide (CID 82946104) is N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)NC(C)CN(C)C)c1F.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide?
The InChIKey is XNOPUQJARZBSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9-6-5-7-11(12(9)14)13(17)15-10(2)8-16(3)4/h5-7,10H,8H2,1-4H3,(H,15,17).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide?
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide has a molecular weight of 238.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 82946104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).