4-[4-[(benzylamino)methyl]phenoxy]benzamide

C21H20N2O2 — CID 59730151

IUPAC4-[4-[(benzylamino)methyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(CNCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H20N2O2/c22-21(24)18-8-12-20(13-9-18)25-19-10-6-17(7-11-19)15-23-14-16-4-2-1-3-5-16/h1-13,23H,14-15H2,(H2,22,24)
InChIKeyHYHDGHMWCXVIQM-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.87
Rot. Bonds7

About 4-[4-[(benzylamino)methyl]phenoxy]benzamide

4-[4-[(benzylamino)methyl]phenoxy]benzamide (PubChem CID 59730151) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[4-[(benzylamino)methyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[(benzylamino)methyl]phenoxy]benzamide
PubChem CID59730151
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name4-[4-[(benzylamino)methyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(CNCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H20N2O2/c22-21(24)18-8-12-20(13-9-18)25-19-10-6-17(7-11-19)15-23-14-16-4-2-1-3-5-16/h1-13,23H,14-15H2,(H2,22,24)
InChIKeyHYHDGHMWCXVIQM-UHFFFAOYSA-N
XLogP3.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenoxy]benzamide
CID 68748456
4-(4-carbamoylphenoxy)benzamide
CID 156597124
4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide
CID 43283523
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
4-[2-(benzylamino)-2-oxoethoxy]benzamide
CID 7931534
4-(2-phenylethyl)benzamide
CID 23130460
4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide
CID 56548245
(E)-but-2-enedioic acid;4-phenoxybenzamide
CID 68593915
4-[4-(hydrazinecarbonyl)phenoxy]benzamide
CID 145084998
4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide
CID 86809283
ethane;methyl 4-[(benzylamino)methyl]benzoate
CID 144842755
4-[4-[2-(benzylamino)ethyl]phenoxy]-2-fluorobenzamide
CID 59730284

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(benzylamino)methyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[(benzylamino)methyl]phenoxy]benzamide (CID 59730151) is 4-[4-[(benzylamino)methyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[(benzylamino)methyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[(benzylamino)methyl]phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(CNCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[4-[(benzylamino)methyl]phenoxy]benzamide?
The InChIKey is HYHDGHMWCXVIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c22-21(24)18-8-12-20(13-9-18)25-19-10-6-17(7-11-19)15-23-14-16-4-2-1-3-5-16/h1-13,23H,14-15H2,(H2,22,24).
What are the key properties of 4-[4-[(benzylamino)methyl]phenoxy]benzamide?
4-[4-[(benzylamino)methyl]phenoxy]benzamide has a molecular weight of 332.40 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(benzylamino)methyl]phenoxy]benzamide is sourced from PubChem (CID 59730151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).