3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide

C16H17N3O2 — CID 107811064

IUPAC3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
SMILESNCc1ccc(CC(=O)Nc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C16H17N3O2/c17-10-12-6-4-11(5-7-12)8-15(20)19-14-3-1-2-13(9-14)16(18)21/h1-7,9H,8,10,17H2,(H2,18,21)(H,19,20)
InChIKeyNAYUQBQLADYTGT-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.43
Rot. Bonds5

About 3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide

3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide (PubChem CID 107811064) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
PubChem CID107811064
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
SMILESNCc1ccc(CC(=O)Nc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C16H17N3O2/c17-10-12-6-4-11(5-7-12)8-15(20)19-14-3-1-2-13(9-14)16(18)21/h1-7,9H,8,10,17H2,(H2,18,21)(H,19,20)
InChIKeyNAYUQBQLADYTGT-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

3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 81312309
4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 63589054
2-[4-(aminomethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 63590654
3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide
CID 102978279
2-[4-(aminomethyl)phenyl]-N-(3-ethylphenyl)acetamide
CID 63589585
3-[(2-phenylacetyl)carbamothioylamino]benzamide
CID 26160937
N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)acetamide
CID 28878488
3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzamide
CID 26160978
N-(3-acetylphenyl)-2-(4-phenylphenyl)acetamide
CID 972684
3-[[2-(2-aminoethoxy)acetyl]amino]benzamide
CID 79479318
N-(3-acetylphenyl)-2-[2-(aminomethyl)phenyl]acetamide
CID 81313310
2-[3-(aminomethyl)phenyl]-N-phenylacetamide
CID 154574877

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide?
The IUPAC name of 3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide (CID 107811064) is 3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide is NCc1ccc(CC(=O)Nc2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide?
The InChIKey is NAYUQBQLADYTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-10-12-6-4-11(5-7-12)8-15(20)19-14-3-1-2-13(9-14)16(18)21/h1-7,9H,8,10,17H2,(H2,18,21)(H,19,20).
What are the key properties of 3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide?
3-[[2-[4-(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-[4-(aminomethyl)phenyl]acetyl]amino]benzamide is sourced from PubChem (CID 107811064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).