4-[[2-(3-aminophenyl)acetyl]amino]-N-methylbenzamide

C16H17N3O2 — CID 62499837

IUPAC4-[[2-(3-aminophenyl)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)Cc2cccc(N)c2)cc1
InChIInChI=1S/C16H17N3O2/c1-18-16(21)12-5-7-14(8-6-12)19-15(20)10-11-3-2-4-13(17)9-11/h2-9H,10,17H2,1H3,(H,18,21)(H,19,20)
InChIKeySXSUBRXHGUSQLF-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.81
Rot. Bonds4

About 4-[[2-(3-aminophenyl)acetyl]amino]-N-methylbenzamide

4-[[2-(3-aminophenyl)acetyl]amino]-N-methylbenzamide (PubChem CID 62499837) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[[2-(3-aminophenyl)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-aminophenyl)acetyl]amino]-N-methylbenzamide
PubChem CID62499837
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-[[2-(3-aminophenyl)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)Cc2cccc(N)c2)cc1
InChIInChI=1S/C16H17N3O2/c1-18-16(21)12-5-7-14(8-6-12)19-15(20)10-11-3-2-4-13(17)9-11/h2-9H,10,17H2,1H3,(H,18,21)(H,19,20)
InChIKeySXSUBRXHGUSQLF-UHFFFAOYSA-N
XLogP1.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(3-methoxyphenyl)acetyl]amino]-N-methylbenzamide
CID 26679644
N-methyl-4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 8700304
2-(3-aminophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 28712241
2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide
CID 28712277
2-(3-aminophenyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 28712195
2-(3-aminophenyl)-N-(3,5-dichlorophenyl)acetamide
CID 28712382
2-(3-aminophenyl)-N-(3,5-dichloro-4-fluorophenyl)acetamide
CID 107571211
N-methyl-4-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 8700251
2-(3-aminophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 28712283
2-(3-aminophenyl)-N-(4-bromo-3-methoxyphenyl)acetamide
CID 82862923
2-(3-aminophenyl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 62499152
4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 54795591

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-aminophenyl)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-(3-aminophenyl)acetyl]amino]-N-methylbenzamide (CID 62499837) is 4-[[2-(3-aminophenyl)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(3-aminophenyl)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(3-aminophenyl)acetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)Cc2cccc(N)c2)cc1.
What is the InChIKey of 4-[[2-(3-aminophenyl)acetyl]amino]-N-methylbenzamide?
The InChIKey is SXSUBRXHGUSQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-18-16(21)12-5-7-14(8-6-12)19-15(20)10-11-3-2-4-13(17)9-11/h2-9H,10,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-[[2-(3-aminophenyl)acetyl]amino]-N-methylbenzamide?
4-[[2-(3-aminophenyl)acetyl]amino]-N-methylbenzamide has a molecular weight of 283.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-aminophenyl)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 62499837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).