3-[(2,4-dimethylanilino)methyl]benzamide

C16H18N2O — CID 28564440

IUPAC3-[(2,4-dimethylanilino)methyl]benzamide
SMILESCc1ccc(NCc2cccc(C(N)=O)c2)c(C)c1
InChIInChI=1S/C16H18N2O/c1-11-6-7-15(12(2)8-11)18-10-13-4-3-5-14(9-13)16(17)19/h3-9,18H,10H2,1-2H3,(H2,17,19)
InChIKeyJMTWIINYYCOVEC-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.01
Rot. Bonds4

About 3-[(2,4-dimethylanilino)methyl]benzamide

3-[(2,4-dimethylanilino)methyl]benzamide (PubChem CID 28564440) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[(2,4-dimethylanilino)methyl]benzamide.

Molecular Properties

Compound Name3-[(2,4-dimethylanilino)methyl]benzamide
PubChem CID28564440
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-[(2,4-dimethylanilino)methyl]benzamide
SMILESCc1ccc(NCc2cccc(C(N)=O)c2)c(C)c1
InChIInChI=1S/C16H18N2O/c1-11-6-7-15(12(2)8-11)18-10-13-4-3-5-14(9-13)16(17)19/h3-9,18H,10H2,1-2H3,(H2,17,19)
InChIKeyJMTWIINYYCOVEC-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,4,6-trimethylanilino)methyl]benzamide
CID 63276989
3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide
CID 43664706
3-[(2-bromo-4-methylanilino)methyl]benzoic acid
CID 103231664
3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide
CID 28529683
3-[(3-bromo-4-methylanilino)methyl]benzamide
CID 55201932
3-[[(5-methyl-3-pyridinyl)amino]methyl]benzamide
CID 103824002
3-[(4-chloro-2-iodoanilino)methyl]benzamide
CID 103764653
3-[(2-bromo-4-chloroanilino)methyl]benzamide
CID 80979619
3-[(2,4,5-trimethylanilino)methyl]benzoic acid
CID 115221774
3-[(2-cyanoanilino)methyl]benzamide
CID 28580909
3-[(3-methyl-4-nitroanilino)methyl]benzamide
CID 60969386
3-[(4-tert-butylanilino)methyl]benzamide
CID 28572040

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylanilino)methyl]benzamide?
The IUPAC name of 3-[(2,4-dimethylanilino)methyl]benzamide (CID 28564440) is 3-[(2,4-dimethylanilino)methyl]benzamide.
What is the SMILES notation for 3-[(2,4-dimethylanilino)methyl]benzamide?
The canonical SMILES for 3-[(2,4-dimethylanilino)methyl]benzamide is Cc1ccc(NCc2cccc(C(N)=O)c2)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylanilino)methyl]benzamide?
The InChIKey is JMTWIINYYCOVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-6-7-15(12(2)8-11)18-10-13-4-3-5-14(9-13)16(17)19/h3-9,18H,10H2,1-2H3,(H2,17,19).
What are the key properties of 3-[(2,4-dimethylanilino)methyl]benzamide?
3-[(2,4-dimethylanilino)methyl]benzamide has a molecular weight of 254.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylanilino)methyl]benzamide is sourced from PubChem (CID 28564440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).