4-[(3-methylanilino)methyl]benzamide

C15H16N2O — CID 28564307

IUPAC4-[(3-methylanilino)methyl]benzamide
SMILESCc1cccc(NCc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C15H16N2O/c1-11-3-2-4-14(9-11)17-10-12-5-7-13(8-6-12)15(16)18/h2-9,17H,10H2,1H3,(H2,16,18)
InChIKeyYKNAKLACGJEZED-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.71
Rot. Bonds4

About 4-[(3-methylanilino)methyl]benzamide

4-[(3-methylanilino)methyl]benzamide (PubChem CID 28564307) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-[(3-methylanilino)methyl]benzamide.

Molecular Properties

Compound Name4-[(3-methylanilino)methyl]benzamide
PubChem CID28564307
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-[(3-methylanilino)methyl]benzamide
SMILESCc1cccc(NCc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C15H16N2O/c1-11-3-2-4-14(9-11)17-10-12-5-7-13(8-6-12)15(16)18/h2-9,17H,10H2,1H3,(H2,16,18)
InChIKeyYKNAKLACGJEZED-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-hydroxy-4-[(3-methylanilino)methyl]benzamide
CID 170564878
4-[(3-fluoro-5-methylanilino)methyl]benzamide
CID 79054394
3-methyl-4-[(3-methylanilino)methyl]benzamide
CID 114479536
4-[(3-methylsulfonylanilino)methyl]benzamide
CID 60713201
4-[(3-sulfamoylanilino)methyl]benzamide
CID 43761254
4-[(3-ethynylanilino)methyl]benzamide
CID 28564163
N-[(4-chlorophenyl)methyl]-3-methylaniline
CID 15533172
4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide
CID 62314630
3-methyl-N-[(4-propylphenyl)methyl]aniline
CID 94687555
4-[(3,4-dichloroanilino)methyl]benzamide
CID 28577960
3-[(4-iodophenyl)methylamino]benzamide
CID 107811157
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylanilino)methyl]benzamide?
The IUPAC name of 4-[(3-methylanilino)methyl]benzamide (CID 28564307) is 4-[(3-methylanilino)methyl]benzamide.
What is the SMILES notation for 4-[(3-methylanilino)methyl]benzamide?
The canonical SMILES for 4-[(3-methylanilino)methyl]benzamide is Cc1cccc(NCc2ccc(C(N)=O)cc2)c1.
What is the InChIKey of 4-[(3-methylanilino)methyl]benzamide?
The InChIKey is YKNAKLACGJEZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-3-2-4-14(9-11)17-10-12-5-7-13(8-6-12)15(16)18/h2-9,17H,10H2,1H3,(H2,16,18).
What are the key properties of 4-[(3-methylanilino)methyl]benzamide?
4-[(3-methylanilino)methyl]benzamide has a molecular weight of 240.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylanilino)methyl]benzamide is sourced from PubChem (CID 28564307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).