N-hydroxy-4-methoxy-3-[(2-phenylacetyl)amino]benzamide

C16H16N2O4 — CID 127047413

IUPACN-hydroxy-4-methoxy-3-[(2-phenylacetyl)amino]benzamide
SMILESCOc1ccc(C(=O)NO)cc1NC(=O)Cc1ccccc1
InChIInChI=1S/C16H16N2O4/c1-22-14-8-7-12(16(20)18-21)10-13(14)17-15(19)9-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyDFZIVCDTMKHRDI-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.00
Rot. Bonds5

About N-hydroxy-4-methoxy-3-[(2-phenylacetyl)amino]benzamide

N-hydroxy-4-methoxy-3-[(2-phenylacetyl)amino]benzamide (PubChem CID 127047413) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-hydroxy-4-methoxy-3-[(2-phenylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-methoxy-3-[(2-phenylacetyl)amino]benzamide
PubChem CID127047413
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-hydroxy-4-methoxy-3-[(2-phenylacetyl)amino]benzamide
SMILESCOc1ccc(C(=O)NO)cc1NC(=O)Cc1ccccc1
InChIInChI=1S/C16H16N2O4/c1-22-14-8-7-12(16(20)18-21)10-13(14)17-15(19)9-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyDFZIVCDTMKHRDI-UHFFFAOYSA-N
XLogP2.00
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-methoxy-3-[(2-phenylacetyl)amino]benzamide?
The IUPAC name of N-hydroxy-4-methoxy-3-[(2-phenylacetyl)amino]benzamide (CID 127047413) is N-hydroxy-4-methoxy-3-[(2-phenylacetyl)amino]benzamide.
What is the SMILES notation for N-hydroxy-4-methoxy-3-[(2-phenylacetyl)amino]benzamide?
The canonical SMILES for N-hydroxy-4-methoxy-3-[(2-phenylacetyl)amino]benzamide is COc1ccc(C(=O)NO)cc1NC(=O)Cc1ccccc1.
What is the InChIKey of N-hydroxy-4-methoxy-3-[(2-phenylacetyl)amino]benzamide?
The InChIKey is DFZIVCDTMKHRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-22-14-8-7-12(16(20)18-21)10-13(14)17-15(19)9-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-hydroxy-4-methoxy-3-[(2-phenylacetyl)amino]benzamide?
N-hydroxy-4-methoxy-3-[(2-phenylacetyl)amino]benzamide has a molecular weight of 300.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-methoxy-3-[(2-phenylacetyl)amino]benzamide is sourced from PubChem (CID 127047413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).