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

C16H17N3O2 — CID 63589054

IUPAC4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
SMILESNCc1ccc(CC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C16H17N3O2/c17-10-12-3-1-11(2-4-12)9-15(20)19-14-7-5-13(6-8-14)16(18)21/h1-8H,9-10,17H2,(H2,18,21)(H,19,20)
InChIKeyNKFPOYYXGZHFKE-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.43
Rot. Bonds5

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

4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide (PubChem CID 63589054) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
PubChem CID63589054
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
SMILESNCc1ccc(CC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C16H17N3O2/c17-10-12-3-1-11(2-4-12)9-15(20)19-14-7-5-13(6-8-14)16(18)21/h1-8H,9-10,17H2,(H2,18,21)(H,19,20)
InChIKeyNKFPOYYXGZHFKE-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

Analyze 4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 107811064
[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide
CID 68644964
N-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 43152378
4-[2-(4-carbamoylanilino)-2-oxoethyl]benzenesulfinate
CID 175122811
4-[[2-(3-chlorophenyl)acetyl]amino]benzamide
CID 56922735
4-[[2-(1H-pyrrol-3-yl)acetyl]amino]benzamide
CID 110769227
4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide
CID 28942422
2-[4-(aminomethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 63590654
N-[4-(aminomethyl)phenyl]-2-(3-hydroxyphenyl)acetamide
CID 61399107
4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 82547522
2-[3-(aminomethyl)phenyl]-N-phenylacetamide
CID 154574877
2-[4-(aminomethyl)phenyl]-N-(3-ethylphenyl)acetamide
CID 63589585

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide (CID 63589054) is 4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide is NCc1ccc(CC(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide?
The InChIKey is NKFPOYYXGZHFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-10-12-3-1-11(2-4-12)9-15(20)19-14-7-5-13(6-8-14)16(18)21/h1-8H,9-10,17H2,(H2,18,21)(H,19,20).
What are the key properties of 4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide?
4-[[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 4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide is sourced from PubChem (CID 63589054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).