N-hydroxy-4-[(3-methylanilino)methyl]benzamide

C15H16N2O2 — CID 170564878

IUPACN-hydroxy-4-[(3-methylanilino)methyl]benzamide
SMILESCc1cccc(NCc2ccc(C(=O)NO)cc2)c1
InChIInChI=1S/C15H16N2O2/c1-11-3-2-4-14(9-11)16-10-12-5-7-13(8-6-12)15(18)17-19/h2-9,16,19H,10H2,1H3,(H,17,18)
InChIKeySTCPUWBSORSVRC-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.73
Rot. Bonds4

About N-hydroxy-4-[(3-methylanilino)methyl]benzamide

N-hydroxy-4-[(3-methylanilino)methyl]benzamide (PubChem CID 170564878) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-hydroxy-4-[(3-methylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(3-methylanilino)methyl]benzamide
PubChem CID170564878
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-hydroxy-4-[(3-methylanilino)methyl]benzamide
SMILESCc1cccc(NCc2ccc(C(=O)NO)cc2)c1
InChIInChI=1S/C15H16N2O2/c1-11-3-2-4-14(9-11)16-10-12-5-7-13(8-6-12)15(18)17-19/h2-9,16,19H,10H2,1H3,(H,17,18)
InChIKeySTCPUWBSORSVRC-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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Related Compounds

4-[(3-methylanilino)methyl]benzamide
CID 28564307
4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide
CID 145489122
N-[(4-chlorophenyl)methyl]-3-methylaniline
CID 15533172
3-methyl-N-[(4-propylphenyl)methyl]aniline
CID 94687555
4-[(3-bromoanilino)methyl]benzoic acid
CID 39439101
2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126267882
3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437428
2,6-dibromo-4-[(3-methylanilino)methyl]phenol
CID 103619387
4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
CID 112982081
N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide
CID 28661898
methyl 3-bromo-4-[(3-methylanilino)methyl]benzoate
CID 102766392
N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide
CID 60961432

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(3-methylanilino)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(3-methylanilino)methyl]benzamide (CID 170564878) is N-hydroxy-4-[(3-methylanilino)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(3-methylanilino)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(3-methylanilino)methyl]benzamide is Cc1cccc(NCc2ccc(C(=O)NO)cc2)c1.
What is the InChIKey of N-hydroxy-4-[(3-methylanilino)methyl]benzamide?
The InChIKey is STCPUWBSORSVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-3-2-4-14(9-11)16-10-12-5-7-13(8-6-12)15(18)17-19/h2-9,16,19H,10H2,1H3,(H,17,18).
What are the key properties of N-hydroxy-4-[(3-methylanilino)methyl]benzamide?
N-hydroxy-4-[(3-methylanilino)methyl]benzamide 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 N-hydroxy-4-[(3-methylanilino)methyl]benzamide is sourced from PubChem (CID 170564878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).