2-fluoro-4-[[3-(4-methylphenyl)phenyl]methylamino]benzamide

C21H19FN2O — CID 100629563

IUPAC2-fluoro-4-[[3-(4-methylphenyl)phenyl]methylamino]benzamide
SMILESCc1ccc(-c2cccc(CNc3ccc(C(N)=O)c(F)c3)c2)cc1
InChIInChI=1S/C21H19FN2O/c1-14-5-7-16(8-6-14)17-4-2-3-15(11-17)13-24-18-9-10-19(21(23)25)20(22)12-18/h2-12,24H,13H2,1H3,(H2,23,25)
InChIKeyOBFKFTDQYRZCOI-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.51
Rot. Bonds5

About 2-fluoro-4-[[3-(4-methylphenyl)phenyl]methylamino]benzamide

2-fluoro-4-[[3-(4-methylphenyl)phenyl]methylamino]benzamide (PubChem CID 100629563) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is 2-fluoro-4-[[3-(4-methylphenyl)phenyl]methylamino]benzamide.

Molecular Properties

Compound Name2-fluoro-4-[[3-(4-methylphenyl)phenyl]methylamino]benzamide
PubChem CID100629563
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC Name2-fluoro-4-[[3-(4-methylphenyl)phenyl]methylamino]benzamide
SMILESCc1ccc(-c2cccc(CNc3ccc(C(N)=O)c(F)c3)c2)cc1
InChIInChI=1S/C21H19FN2O/c1-14-5-7-16(8-6-14)17-4-2-3-15(11-17)13-24-18-9-10-19(21(23)25)20(22)12-18/h2-12,24H,13H2,1H3,(H2,23,25)
InChIKeyOBFKFTDQYRZCOI-UHFFFAOYSA-N
XLogP4.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-4-[[3-(4-methylphenyl)phenyl]methylamino]benzamide 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

2-fluoro-4-[(3-methylphenyl)methylamino]benzoic acid
CID 113319749
3-[4-[[3-(4-methylphenyl)phenyl]methylamino]phenyl]propanoic acid
CID 54583099
1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea
CID 146076602
ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen
CID 143768800
2-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]benzamide
CID 63646371
3-[(4-chloro-3-fluoroanilino)methyl]benzamide
CID 61467366
2-fluoro-4-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
CID 115123885
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-fluorobenzamide
CID 75426714
methyl 2-fluoro-4-[(3-methylanilino)methyl]benzoate
CID 106699466
trifluoro-[3-[(4-methylanilino)methyl]phenyl]boranuide
CID 86767277
4-[(3-ethylanilino)methyl]-2-fluorobenzoic acid
CID 106699642

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[3-(4-methylphenyl)phenyl]methylamino]benzamide?
The IUPAC name of 2-fluoro-4-[[3-(4-methylphenyl)phenyl]methylamino]benzamide (CID 100629563) is 2-fluoro-4-[[3-(4-methylphenyl)phenyl]methylamino]benzamide.
What is the SMILES notation for 2-fluoro-4-[[3-(4-methylphenyl)phenyl]methylamino]benzamide?
The canonical SMILES for 2-fluoro-4-[[3-(4-methylphenyl)phenyl]methylamino]benzamide is Cc1ccc(-c2cccc(CNc3ccc(C(N)=O)c(F)c3)c2)cc1.
What is the InChIKey of 2-fluoro-4-[[3-(4-methylphenyl)phenyl]methylamino]benzamide?
The InChIKey is OBFKFTDQYRZCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/c1-14-5-7-16(8-6-14)17-4-2-3-15(11-17)13-24-18-9-10-19(21(23)25)20(22)12-18/h2-12,24H,13H2,1H3,(H2,23,25).
What are the key properties of 2-fluoro-4-[[3-(4-methylphenyl)phenyl]methylamino]benzamide?
2-fluoro-4-[[3-(4-methylphenyl)phenyl]methylamino]benzamide has a molecular weight of 334.39 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[3-(4-methylphenyl)phenyl]methylamino]benzamide is sourced from PubChem (CID 100629563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).