3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide

C16H17N3O2 — CID 62949892

IUPAC3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide
SMILESNCc1ccccc1CNC(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C16H17N3O2/c17-9-13-4-1-2-5-14(13)10-19-16(21)12-7-3-6-11(8-12)15(18)20/h1-8H,9-10,17H2,(H2,18,20)(H,19,21)
InChIKeyGCMQUTVMYVRZOI-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.17
Rot. Bonds5

About 3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide

3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide (PubChem CID 62949892) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide
PubChem CID62949892
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide
SMILESNCc1ccccc1CNC(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C16H17N3O2/c17-9-13-4-1-2-5-14(13)10-19-16(21)12-7-3-6-11(8-12)15(18)20/h1-8H,9-10,17H2,(H2,18,20)(H,19,21)
InChIKeyGCMQUTVMYVRZOI-UHFFFAOYSA-N
XLogP1.17
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide
CID 63186443
3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 81312309
[2-(aminomethyl)phenyl]methylurea
CID 62949906
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
N-[[2-(aminomethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 62949714
N-[[2-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 62950627
N-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide
CID 62950632
3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide
CID 115161179
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 18070244
N-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide
CID 104671375
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide
CID 62952153
3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 111458178

Frequently Asked Questions

What is the IUPAC name of 3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide (CID 62949892) is 3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide is NCc1ccccc1CNC(=O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide?
The InChIKey is GCMQUTVMYVRZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-9-13-4-1-2-5-14(13)10-19-16(21)12-7-3-6-11(8-12)15(18)20/h1-8H,9-10,17H2,(H2,18,20)(H,19,21).
What are the key properties of 3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide?
3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 62949892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).