4-[(2S)-3-amino-2-(dimethylamino)propyl]-2-fluoro-N,3-dimethylbenzamide

C14H22FN3O — CID 166025377

IUPAC4-[(2S)-3-amino-2-(dimethylamino)propyl]-2-fluoro-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(C[C@@H](CN)N(C)C)c(C)c1F
InChIInChI=1S/C14H22FN3O/c1-9-10(7-11(8-16)18(3)4)5-6-12(13(9)15)14(19)17-2/h5-6,11H,7-8,16H2,1-4H3,(H,17,19)/t11-/m0/s1
InChIKeyGDNGQYSEWJQTKV-NSHDSACASA-N
MW267.35 g/mol
LogP0.93
Rot. Bonds5

About 4-[(2S)-3-amino-2-(dimethylamino)propyl]-2-fluoro-N,3-dimethylbenzamide

4-[(2S)-3-amino-2-(dimethylamino)propyl]-2-fluoro-N,3-dimethylbenzamide (PubChem CID 166025377) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-[(2S)-3-amino-2-(dimethylamino)propyl]-2-fluoro-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[(2S)-3-amino-2-(dimethylamino)propyl]-2-fluoro-N,3-dimethylbenzamide
PubChem CID166025377
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name4-[(2S)-3-amino-2-(dimethylamino)propyl]-2-fluoro-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(C[C@@H](CN)N(C)C)c(C)c1F
InChIInChI=1S/C14H22FN3O/c1-9-10(7-11(8-16)18(3)4)5-6-12(13(9)15)14(19)17-2/h5-6,11H,7-8,16H2,1-4H3,(H,17,19)/t11-/m0/s1
InChIKeyGDNGQYSEWJQTKV-NSHDSACASA-N
XLogP0.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-amino-2-(dimethylamino)propyl]-2-fluoro-N,3-dimethylbenzamide?
The IUPAC name of 4-[(2S)-3-amino-2-(dimethylamino)propyl]-2-fluoro-N,3-dimethylbenzamide (CID 166025377) is 4-[(2S)-3-amino-2-(dimethylamino)propyl]-2-fluoro-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[(2S)-3-amino-2-(dimethylamino)propyl]-2-fluoro-N,3-dimethylbenzamide?
The canonical SMILES for 4-[(2S)-3-amino-2-(dimethylamino)propyl]-2-fluoro-N,3-dimethylbenzamide is CNC(=O)c1ccc(C[C@@H](CN)N(C)C)c(C)c1F.
What is the InChIKey of 4-[(2S)-3-amino-2-(dimethylamino)propyl]-2-fluoro-N,3-dimethylbenzamide?
The InChIKey is GDNGQYSEWJQTKV-NSHDSACASA-N. The full InChI is InChI=1S/C14H22FN3O/c1-9-10(7-11(8-16)18(3)4)5-6-12(13(9)15)14(19)17-2/h5-6,11H,7-8,16H2,1-4H3,(H,17,19)/t11-/m0/s1.
What are the key properties of 4-[(2S)-3-amino-2-(dimethylamino)propyl]-2-fluoro-N,3-dimethylbenzamide?
4-[(2S)-3-amino-2-(dimethylamino)propyl]-2-fluoro-N,3-dimethylbenzamide has a molecular weight of 267.35 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-amino-2-(dimethylamino)propyl]-2-fluoro-N,3-dimethylbenzamide is sourced from PubChem (CID 166025377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).