2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide

C12H18FN3O — CID 82938061

IUPAC2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide
SMILESCC(CN(C)C)NC(=O)c1cccc(F)c1N
InChIInChI=1S/C12H18FN3O/c1-8(7-16(2)3)15-12(17)9-5-4-6-10(13)11(9)14/h4-6,8H,7,14H2,1-3H3,(H,15,17)
InChIKeyWZPDVGQMLNYANC-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.09
Rot. Bonds4

About 2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide

2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide (PubChem CID 82938061) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide
PubChem CID82938061
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide
SMILESCC(CN(C)C)NC(=O)c1cccc(F)c1N
InChIInChI=1S/C12H18FN3O/c1-8(7-16(2)3)15-12(17)9-5-4-6-10(13)11(9)14/h4-6,8H,7,14H2,1-3H3,(H,15,17)
InChIKeyWZPDVGQMLNYANC-UHFFFAOYSA-N
XLogP1.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-fluoro-N-propan-2-ylbenzamide
CID 62648902
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide
CID 82946104
2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 82946038
N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide
CID 82950249
2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide
CID 62661518
2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 96696408
2-amino-3-fluoro-N',N'-dimethylbenzohydrazide
CID 83021184
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide
CID 82946219
2-amino-3-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 55100204
2-[1-(dimethylamino)propan-2-ylcarbamoyl]-4,5-difluorobenzoic acid
CID 82945428
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 82945495
2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 113331728

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide?
The IUPAC name of 2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide (CID 82938061) is 2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide?
The canonical SMILES for 2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide is CC(CN(C)C)NC(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide?
The InChIKey is WZPDVGQMLNYANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-8(7-16(2)3)15-12(17)9-5-4-6-10(13)11(9)14/h4-6,8H,7,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide?
2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide has a molecular weight of 239.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide is sourced from PubChem (CID 82938061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).