3-(benzylamino)-N-hydroxy-4-methylbenzamide

C15H16N2O2 — CID 134159676

IUPAC3-(benzylamino)-N-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NO)cc1NCc1ccccc1
InChIInChI=1S/C15H16N2O2/c1-11-7-8-13(15(18)17-19)9-14(11)16-10-12-5-3-2-4-6-12/h2-9,16,19H,10H2,1H3,(H,17,18)
InChIKeyPZBARTUEWCQNSN-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.73
Rot. Bonds4

About 3-(benzylamino)-N-hydroxy-4-methylbenzamide

3-(benzylamino)-N-hydroxy-4-methylbenzamide (PubChem CID 134159676) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(benzylamino)-N-hydroxy-4-methylbenzamide.

Molecular Properties

Compound Name3-(benzylamino)-N-hydroxy-4-methylbenzamide
PubChem CID134159676
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-(benzylamino)-N-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NO)cc1NCc1ccccc1
InChIInChI=1S/C15H16N2O2/c1-11-7-8-13(15(18)17-19)9-14(11)16-10-12-5-3-2-4-6-12/h2-9,16,19H,10H2,1H3,(H,17,18)
InChIKeyPZBARTUEWCQNSN-UHFFFAOYSA-N
XLogP2.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 3-(benzylamino)-N-hydroxy-4-methylbenzamide?
The IUPAC name of 3-(benzylamino)-N-hydroxy-4-methylbenzamide (CID 134159676) is 3-(benzylamino)-N-hydroxy-4-methylbenzamide.
What is the SMILES notation for 3-(benzylamino)-N-hydroxy-4-methylbenzamide?
The canonical SMILES for 3-(benzylamino)-N-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NO)cc1NCc1ccccc1.
What is the InChIKey of 3-(benzylamino)-N-hydroxy-4-methylbenzamide?
The InChIKey is PZBARTUEWCQNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-7-8-13(15(18)17-19)9-14(11)16-10-12-5-3-2-4-6-12/h2-9,16,19H,10H2,1H3,(H,17,18).
What are the key properties of 3-(benzylamino)-N-hydroxy-4-methylbenzamide?
3-(benzylamino)-N-hydroxy-4-methylbenzamide has a molecular weight of 256.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-N-hydroxy-4-methylbenzamide is sourced from PubChem (CID 134159676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).