4-[(2-ethylanilino)methyl]benzamide

C16H18N2O — CID 28583374

IUPAC4-[(2-ethylanilino)methyl]benzamide
SMILESCCc1ccccc1NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H18N2O/c1-2-13-5-3-4-6-15(13)18-11-12-7-9-14(10-8-12)16(17)19/h3-10,18H,2,11H2,1H3,(H2,17,19)
InChIKeyCVXTUTKQCWBMLF-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.96
Rot. Bonds5

About 4-[(2-ethylanilino)methyl]benzamide

4-[(2-ethylanilino)methyl]benzamide (PubChem CID 28583374) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[(2-ethylanilino)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-ethylanilino)methyl]benzamide
PubChem CID28583374
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-[(2-ethylanilino)methyl]benzamide
SMILESCCc1ccccc1NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H18N2O/c1-2-13-5-3-4-6-15(13)18-11-12-7-9-14(10-8-12)16(17)19/h3-10,18H,2,11H2,1H3,(H2,17,19)
InChIKeyCVXTUTKQCWBMLF-UHFFFAOYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-ethylsulfanylanilino)methyl]benzamide
CID 60936340
4-[(naphthalen-1-ylamino)methyl]benzamide
CID 25344267
2-[2-[(4-ethoxyphenyl)methylamino]phenyl]acetamide
CID 43738439
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815712
4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide
CID 106953737
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207
4-[[2-[2-(dimethylamino)ethyl]anilino]methyl]benzoic acid
CID 122033254
N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline
CID 54920225
2-[[(4-ethylphenyl)methylamino]methyl]benzamide
CID 106899663
4-[(3-methylanilino)methyl]benzamide
CID 28564307

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylanilino)methyl]benzamide?
The IUPAC name of 4-[(2-ethylanilino)methyl]benzamide (CID 28583374) is 4-[(2-ethylanilino)methyl]benzamide.
What is the SMILES notation for 4-[(2-ethylanilino)methyl]benzamide?
The canonical SMILES for 4-[(2-ethylanilino)methyl]benzamide is CCc1ccccc1NCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(2-ethylanilino)methyl]benzamide?
The InChIKey is CVXTUTKQCWBMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-13-5-3-4-6-15(13)18-11-12-7-9-14(10-8-12)16(17)19/h3-10,18H,2,11H2,1H3,(H2,17,19).
What are the key properties of 4-[(2-ethylanilino)methyl]benzamide?
4-[(2-ethylanilino)methyl]benzamide has a molecular weight of 254.33 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylanilino)methyl]benzamide is sourced from PubChem (CID 28583374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).