5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide

C12H17FN2O — CID 103295681

IUPAC5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide
SMILESCCN(CC)C(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C12H17FN2O/c1-4-15(5-2)12(16)10-7-9(14)6-8(3)11(10)13/h6-7H,4-5,14H2,1-3H3
InChIKeyGATZWFSRIKKBJP-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.20
Rot. Bonds3

About 5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide

5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide (PubChem CID 103295681) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide
PubChem CID103295681
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide
SMILESCCN(CC)C(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C12H17FN2O/c1-4-15(5-2)12(16)10-7-9(14)6-8(3)11(10)13/h6-7H,4-5,14H2,1-3H3
InChIKeyGATZWFSRIKKBJP-UHFFFAOYSA-N
XLogP2.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide
CID 103296950
5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide
CID 103296632
5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide
CID 103295866
5-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 103296169
5-amino-2-fluoro-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103296108
5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 103296803
5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide
CID 103295990
5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 103295951
5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide
CID 103296717
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103295957
5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide
CID 107197446

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide?
The IUPAC name of 5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide (CID 103295681) is 5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide?
The canonical SMILES for 5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide is CCN(CC)C(=O)c1cc(N)cc(C)c1F.
What is the InChIKey of 5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide?
The InChIKey is GATZWFSRIKKBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-4-15(5-2)12(16)10-7-9(14)6-8(3)11(10)13/h6-7H,4-5,14H2,1-3H3.
What are the key properties of 5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide?
5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide has a molecular weight of 224.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 103295681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).