2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide

C12H18FN3O — CID 54916025

IUPAC2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
SMILESCC(CNC(=O)c1cc(F)ccc1N)N(C)C
InChIInChI=1S/C12H18FN3O/c1-8(16(2)3)7-15-12(17)10-6-9(13)4-5-11(10)14/h4-6,8H,7,14H2,1-3H3,(H,15,17)
InChIKeySXMVDJWVWXXAIV-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.09
Rot. Bonds4

About 2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide

2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide (PubChem CID 54916025) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
PubChem CID54916025
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
SMILESCC(CNC(=O)c1cc(F)ccc1N)N(C)C
InChIInChI=1S/C12H18FN3O/c1-8(16(2)3)7-15-12(17)10-6-9(13)4-5-11(10)14/h4-6,8H,7,14H2,1-3H3,(H,15,17)
InChIKeySXMVDJWVWXXAIV-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-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 60748378
2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide
CID 62508707
5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide
CID 61139702
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-5-fluorobenzamide
CID 54979124
2-amino-5-hydroxy-N-(2-hydroxybutyl)benzamide
CID 107076071
2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide
CID 43274590
4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride
CID 119861815
2-bromo-N-[2-(dimethylamino)propyl]benzamide
CID 60748459
2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 75414598
2-amino-5-fluoro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 43363356
N-[2-(dimethylamino)propyl]-2-hydrazinylbenzamide
CID 62248398
2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide
CID 103994631

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide (CID 54916025) is 2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide is CC(CNC(=O)c1cc(F)ccc1N)N(C)C.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide?
The InChIKey is SXMVDJWVWXXAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-8(16(2)3)7-15-12(17)10-6-9(13)4-5-11(10)14/h4-6,8H,7,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide?
2-amino-N-[2-(dimethylamino)propyl]-5-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-[2-(dimethylamino)propyl]-5-fluorobenzamide is sourced from PubChem (CID 54916025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).