3-[[2-(3-hydroxyphenyl)acetyl]amino]-N-methylbenzamide

C16H16N2O3 — CID 11022423

IUPAC3-[[2-(3-hydroxyphenyl)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)Cc2cccc(O)c2)c1
InChIInChI=1S/C16H16N2O3/c1-17-16(21)12-5-3-6-13(10-12)18-15(20)9-11-4-2-7-14(19)8-11/h2-8,10,19H,9H2,1H3,(H,17,21)(H,18,20)
InChIKeyPFVXJKBYKODZTQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.93
Rot. Bonds4

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

3-[[2-(3-hydroxyphenyl)acetyl]amino]-N-methylbenzamide (PubChem CID 11022423) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[[2-(3-hydroxyphenyl)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-hydroxyphenyl)acetyl]amino]-N-methylbenzamide
PubChem CID11022423
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name3-[[2-(3-hydroxyphenyl)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)Cc2cccc(O)c2)c1
InChIInChI=1S/C16H16N2O3/c1-17-16(21)12-5-3-6-13(10-12)18-15(20)9-11-4-2-7-14(19)8-11/h2-8,10,19H,9H2,1H3,(H,17,21)(H,18,20)
InChIKeyPFVXJKBYKODZTQ-UHFFFAOYSA-N
XLogP1.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-hydroxyphenyl)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-(3-hydroxyphenyl)acetyl]amino]-N-methylbenzamide (CID 11022423) is 3-[[2-(3-hydroxyphenyl)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-(3-hydroxyphenyl)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-(3-hydroxyphenyl)acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)Cc2cccc(O)c2)c1.
What is the InChIKey of 3-[[2-(3-hydroxyphenyl)acetyl]amino]-N-methylbenzamide?
The InChIKey is PFVXJKBYKODZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-17-16(21)12-5-3-6-13(10-12)18-15(20)9-11-4-2-7-14(19)8-11/h2-8,10,19H,9H2,1H3,(H,17,21)(H,18,20).
What are the key properties of 3-[[2-(3-hydroxyphenyl)acetyl]amino]-N-methylbenzamide?
3-[[2-(3-hydroxyphenyl)acetyl]amino]-N-methylbenzamide has a molecular weight of 284.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-hydroxyphenyl)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 11022423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).