3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide

C22H21N3O4 — CID 3504342

IUPAC3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H21N3O4/c1-27-19-13-15(14-20(28-2)21(19)29-3)22(26)23-16-9-11-18(12-10-16)25-24-17-7-5-4-6-8-17/h4-14H,1-3H3,(H,23,26)/b25-24+
InChIKeyYBPKTHOZBLKJRL-OCOZRVBESA-N
MW391.43 g/mol
LogP5.38
Rot. Bonds7

About 3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide

3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide (PubChem CID 3504342) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
PubChem CID3504342
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H21N3O4/c1-27-19-13-15(14-20(28-2)21(19)29-3)22(26)23-16-9-11-18(12-10-16)25-24-17-7-5-4-6-8-17/h4-14H,1-3H3,(H,23,26)/b25-24+
InChIKeyYBPKTHOZBLKJRL-OCOZRVBESA-N
XLogP5.38
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide
CID 3466026
3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980351
N-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide
CID 3117342
3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 46392754
N-(4-ethynylphenyl)-3,4,5-trimethoxybenzamide
CID 91398084
N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 91676904
(E)-3-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]prop-2-enoic acid
CID 21486337
3,4-dimethoxy-5-nitro-N-phenylbenzamide
CID 19743065
3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 4033841
N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 3934727

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide (CID 3504342) is 3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide is COc1cc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide?
The InChIKey is YBPKTHOZBLKJRL-OCOZRVBESA-N. The full InChI is InChI=1S/C22H21N3O4/c1-27-19-13-15(14-20(28-2)21(19)29-3)22(26)23-16-9-11-18(12-10-16)25-24-17-7-5-4-6-8-17/h4-14H,1-3H3,(H,23,26)/b25-24+.
What are the key properties of 3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide?
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide has a molecular weight of 391.43 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide is sourced from PubChem (CID 3504342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).