3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]benzamide

C16H17N3O2 — CID 81312309

IUPAC3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]benzamide
SMILESNCc1ccccc1CC(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C16H17N3O2/c17-10-13-5-2-1-4-11(13)9-15(20)19-14-7-3-6-12(8-14)16(18)21/h1-8H,9-10,17H2,(H2,18,21)(H,19,20)
InChIKeyHYTUYPYKGXWCRL-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.43
Rot. Bonds5

About 3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]benzamide

3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]benzamide (PubChem CID 81312309) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]benzamide
PubChem CID81312309
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]benzamide
SMILESNCc1ccccc1CC(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C16H17N3O2/c17-10-13-5-2-1-4-11(13)9-15(20)19-14-7-3-6-12(8-14)16(18)21/h1-8H,9-10,17H2,(H2,18,21)(H,19,20)
InChIKeyHYTUYPYKGXWCRL-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-[2-(aminomethyl)phenyl]acetamide
CID 81313310
3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 107811064
2-[2-(aminomethyl)phenyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 81318026
3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide
CID 62949892
2-[2-(aminomethyl)phenyl]-N-(3-hydroxy-4-methylphenyl)acetamide
CID 107701531
3-[(2-hydroxyphenyl)methylamino]benzamide
CID 28650539
2-[2-(aminomethyl)phenyl]-N-(4-chloro-3-cyanophenyl)acetamide
CID 81311876
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
3-[[2-(2-aminoethoxy)acetyl]amino]benzamide
CID 79479318
3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide
CID 102978279
N-(3-carbamoylphenyl)-N'-(2-methoxyphenyl)propanediamide
CID 50875903
2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide
CID 107599693

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]benzamide?
The IUPAC name of 3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]benzamide (CID 81312309) is 3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]benzamide is NCc1ccccc1CC(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]benzamide?
The InChIKey is HYTUYPYKGXWCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-10-13-5-2-1-4-11(13)9-15(20)19-14-7-3-6-12(8-14)16(18)21/h1-8H,9-10,17H2,(H2,18,21)(H,19,20).
What are the key properties of 3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]benzamide?
3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]benzamide has a molecular weight of 283.33 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]benzamide is sourced from PubChem (CID 81312309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).