4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide

C12H18FN3O — CID 55228481

IUPAC4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C12H18FN3O/c1-15(2)6-7-16(3)12(17)9-4-5-11(14)10(13)8-9/h4-5,8H,6-7,14H2,1-3H3
InChIKeyMAEBCLIQWKPTMG-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.04
Rot. Bonds4

About 4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide

4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide (PubChem CID 55228481) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide
PubChem CID55228481
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C12H18FN3O/c1-15(2)6-7-16(3)12(17)9-4-5-11(14)10(13)8-9/h4-5,8H,6-7,14H2,1-3H3
InChIKeyMAEBCLIQWKPTMG-UHFFFAOYSA-N
XLogP1.04
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide
CID 62680430
4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913755
N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63693984
ethyl 2-[(4-amino-3-fluorobenzoyl)-methylamino]acetate
CID 62680799
4-amino-N-[2-(dimethylamino)ethyl]-N-methyl-3-nitrobenzamide
CID 63727577
N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 63693090
4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62680598
4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide
CID 62862148
N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-nitrobenzamide
CID 63693985
4-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 62682971
4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62678324
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63694073

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide (CID 55228481) is 4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide is CN(C)CCN(C)C(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide?
The InChIKey is MAEBCLIQWKPTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-15(2)6-7-16(3)12(17)9-4-5-11(14)10(13)8-9/h4-5,8H,6-7,14H2,1-3H3.
What are the key properties of 4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide?
4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide has a molecular weight of 239.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 55228481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).