3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide

C11H16FN3O — CID 172646860

IUPAC3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
SMILESCN(C)CCNC(=O)c1cccc(N)c1F
InChIInChI=1S/C11H16FN3O/c1-15(2)7-6-14-11(16)8-4-3-5-9(13)10(8)12/h3-5H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyGZZWASSGHAVJJT-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.70
Rot. Bonds4

About 3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide

3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide (PubChem CID 172646860) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
PubChem CID172646860
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
SMILESCN(C)CCNC(=O)c1cccc(N)c1F
InChIInChI=1S/C11H16FN3O/c1-15(2)7-6-14-11(16)8-4-3-5-9(13)10(8)12/h3-5H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyGZZWASSGHAVJJT-UHFFFAOYSA-N
XLogP0.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.70
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

N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
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3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
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4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide
CID 164662948
2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
CID 114199769
3-amino-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 110849614
2-amino-3-bromo-N-[4-(dimethylamino)butyl]benzamide
CID 110451091
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CID 63694509
2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
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N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 172648766
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-fluorobenzamide
CID 55142391

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide (CID 172646860) is 3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide is CN(C)CCNC(=O)c1cccc(N)c1F.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide?
The InChIKey is GZZWASSGHAVJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-15(2)7-6-14-11(16)8-4-3-5-9(13)10(8)12/h3-5H,6-7,13H2,1-2H3,(H,14,16).
What are the key properties of 3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide?
3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide has a molecular weight of 225.27 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 172646860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).