4-(aminomethyl)-N-(2-ethylphenyl)benzamide

C16H18N2O — CID 16782121

IUPAC4-(aminomethyl)-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(CN)cc1
InChIInChI=1S/C16H18N2O/c1-2-13-5-3-4-6-15(13)18-16(19)14-9-7-12(11-17)8-10-14/h3-10H,2,11,17H2,1H3,(H,18,19)
InChIKeyCDIKPPHPRHHNGZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.96
Rot. Bonds4

About 4-(aminomethyl)-N-(2-ethylphenyl)benzamide

4-(aminomethyl)-N-(2-ethylphenyl)benzamide (PubChem CID 16782121) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-ethylphenyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-ethylphenyl)benzamide
PubChem CID16782121
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-(aminomethyl)-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(CN)cc1
InChIInChI=1S/C16H18N2O/c1-2-13-5-3-4-6-15(13)18-16(19)14-9-7-12(11-17)8-10-14/h3-10H,2,11,17H2,1H3,(H,18,19)
InChIKeyCDIKPPHPRHHNGZ-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-carbamothioyl-N-(2-ethylphenyl)benzamide
CID 24701892
4-ethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601035
1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046713
N-(2-ethylphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119447
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
N-(2-ethylphenyl)-2-[(4-fluorobenzoyl)amino]benzamide
CID 58758751
4-ethyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26678506
1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049739
4-(bromomethyl)-N-(2-propylphenyl)benzamide
CID 102851108
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
1-N-(2,4-difluorophenyl)-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049743
N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394811

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-ethylphenyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(2-ethylphenyl)benzamide (CID 16782121) is 4-(aminomethyl)-N-(2-ethylphenyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-ethylphenyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-ethylphenyl)benzamide is CCc1ccccc1NC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2-ethylphenyl)benzamide?
The InChIKey is CDIKPPHPRHHNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-13-5-3-4-6-15(13)18-16(19)14-9-7-12(11-17)8-10-14/h3-10H,2,11,17H2,1H3,(H,18,19).
What are the key properties of 4-(aminomethyl)-N-(2-ethylphenyl)benzamide?
4-(aminomethyl)-N-(2-ethylphenyl)benzamide has a molecular weight of 254.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-ethylphenyl)benzamide is sourced from PubChem (CID 16782121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).