3-[(2,4,5-trimethylphenyl)methylamino]benzamide

C17H20N2O — CID 43767609

IUPAC3-[(2,4,5-trimethylphenyl)methylamino]benzamide
SMILESCc1cc(C)c(CNc2cccc(C(N)=O)c2)cc1C
InChIInChI=1S/C17H20N2O/c1-11-7-13(3)15(8-12(11)2)10-19-16-6-4-5-14(9-16)17(18)20/h4-9,19H,10H2,1-3H3,(H2,18,20)
InChIKeyMLICXZLUBLPETH-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.32
Rot. Bonds4

About 3-[(2,4,5-trimethylphenyl)methylamino]benzamide

3-[(2,4,5-trimethylphenyl)methylamino]benzamide (PubChem CID 43767609) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[(2,4,5-trimethylphenyl)methylamino]benzamide.

Molecular Properties

Compound Name3-[(2,4,5-trimethylphenyl)methylamino]benzamide
PubChem CID43767609
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-[(2,4,5-trimethylphenyl)methylamino]benzamide
SMILESCc1cc(C)c(CNc2cccc(C(N)=O)c2)cc1C
InChIInChI=1S/C17H20N2O/c1-11-7-13(3)15(8-12(11)2)10-19-16-6-4-5-14(9-16)17(18)20/h4-9,19H,10H2,1-3H3,(H2,18,20)
InChIKeyMLICXZLUBLPETH-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2,4,5-trimethylphenyl)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

3-[(2-hydroxyphenyl)methylamino]benzamide
CID 28650539
3-methyl-4-[(3-methylanilino)methyl]benzamide
CID 114479536
3-[(2,4,6-trimethylphenyl)methylamino]benzamide
CID 28650483
4-[(3-iodoanilino)methyl]-3-methylbenzamide
CID 114479793
4-(anilinomethyl)-3-methylbenzamide
CID 114479545
3-[(2,4-dimethoxyphenyl)methylamino]benzamide
CID 28650467
2-[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide
CID 43786872
3-[[2-(trifluoromethyl)phenyl]methylamino]benzamide
CID 28650471
3-[(3-chloro-2-fluorophenyl)methylamino]benzamide
CID 115743478
3-[(2,4,5-trimethylphenyl)methylamino]benzonitrile
CID 43762516
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520
3-[(4-iodophenyl)methylamino]benzamide
CID 107811157

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,5-trimethylphenyl)methylamino]benzamide?
The IUPAC name of 3-[(2,4,5-trimethylphenyl)methylamino]benzamide (CID 43767609) is 3-[(2,4,5-trimethylphenyl)methylamino]benzamide.
What is the SMILES notation for 3-[(2,4,5-trimethylphenyl)methylamino]benzamide?
The canonical SMILES for 3-[(2,4,5-trimethylphenyl)methylamino]benzamide is Cc1cc(C)c(CNc2cccc(C(N)=O)c2)cc1C.
What is the InChIKey of 3-[(2,4,5-trimethylphenyl)methylamino]benzamide?
The InChIKey is MLICXZLUBLPETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-7-13(3)15(8-12(11)2)10-19-16-6-4-5-14(9-16)17(18)20/h4-9,19H,10H2,1-3H3,(H2,18,20).
What are the key properties of 3-[(2,4,5-trimethylphenyl)methylamino]benzamide?
3-[(2,4,5-trimethylphenyl)methylamino]benzamide has a molecular weight of 268.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4,5-trimethylphenyl)methylamino]benzamide is sourced from PubChem (CID 43767609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).