5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide

C16H16F2N2O — CID 103295957

IUPAC5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
SMILESCc1cc(N)cc(C(=O)N(C)Cc2ccc(F)cc2)c1F
InChIInChI=1S/C16H16F2N2O/c1-10-7-13(19)8-14(15(10)18)16(21)20(2)9-11-3-5-12(17)6-4-11/h3-8H,9,19H2,1-2H3
InChIKeyNNIRTCQHWBWYCE-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.13
Rot. Bonds3

About 5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide

5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide (PubChem CID 103295957) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
PubChem CID103295957
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
SMILESCc1cc(N)cc(C(=O)N(C)Cc2ccc(F)cc2)c1F
InChIInChI=1S/C16H16F2N2O/c1-10-7-13(19)8-14(15(10)18)16(21)20(2)9-11-3-5-12(17)6-4-11/h3-8H,9,19H2,1-2H3
InChIKeyNNIRTCQHWBWYCE-UHFFFAOYSA-N
XLogP3.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide 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-[(3-chlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 103296048
2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 80718972
5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide
CID 103296717
5-amino-2-fluoro-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 103296536
5-amino-2-fluoro-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 103295980
3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 43574101
5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 43510882
2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 63109740
N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
CID 78771211
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide
CID 103295866
N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 78771151

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide?
The IUPAC name of 5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide (CID 103295957) is 5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide?
The canonical SMILES for 5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide is Cc1cc(N)cc(C(=O)N(C)Cc2ccc(F)cc2)c1F.
What is the InChIKey of 5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide?
The InChIKey is NNIRTCQHWBWYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-10-7-13(19)8-14(15(10)18)16(21)20(2)9-11-3-5-12(17)6-4-11/h3-8H,9,19H2,1-2H3.
What are the key properties of 5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide?
5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide has a molecular weight of 290.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 103295957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).