N-[7-[(2,4-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]benzamide

C27H25N3O2 — CID 135698143

IUPACN-[7-[(2,4-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]benzamide
SMILESCc1ccc(/N=N/c2c(C)cc3cc(C)cc(NC(=O)c4ccccc4)c3c2O)c(C)c1
InChIInChI=1S/C27H25N3O2/c1-16-10-11-22(18(3)12-16)29-30-25-19(4)15-21-13-17(2)14-23(24(21)26(25)31)28-27(32)20-8-6-5-7-9-20/h5-15,31H,1-4H3,(H,28,32)/b30-29+
InChIKeyYUUVQRWVDJVUGA-QVIHXGFCSA-N
MW423.52 g/mol
LogP7.45
Rot. Bonds4

About N-[7-[(2,4-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]benzamide

N-[7-[(2,4-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]benzamide (PubChem CID 135698143) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[7-[(2,4-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]benzamide.

Molecular Properties

Compound NameN-[7-[(2,4-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]benzamide
PubChem CID135698143
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC NameN-[7-[(2,4-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]benzamide
SMILESCc1ccc(/N=N/c2c(C)cc3cc(C)cc(NC(=O)c4ccccc4)c3c2O)c(C)c1
InChIInChI=1S/C27H25N3O2/c1-16-10-11-22(18(3)12-16)29-30-25-19(4)15-21-13-17(2)14-23(24(21)26(25)31)28-27(32)20-8-6-5-7-9-20/h5-15,31H,1-4H3,(H,28,32)/b30-29+
InChIKeyYUUVQRWVDJVUGA-QVIHXGFCSA-N
XLogP7.45
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 57.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[2-[(2,4-dimethylphenyl)diazenyl]-3,5-dimethylphenyl]-phenylmethanone
CID 72700948
5-benzamido-3-[(2,5-dimethylphenyl)diazenyl]-4-hydroxy-8-methylnaphthalene-2-sulfonic acid
CID 135854936
8-amino-3,6-dimethyl-2-phenyldiazenylnaphthalen-1-ol
CID 135714413
3-[(5-amino-2-sulfophenyl)diazenyl]-5-benzamido-4-hydroxynaphthalene-2,7-disulfonic acid
CID 135753287
8-amino-3,6-dimethyl-2,7-bis(phenyldiazenyl)naphthalen-1-ol
CID 135733615
N-(5-methyl-2-prop-1-en-2-ylphenyl)benzamide
CID 154709927
N-[8-hydroxy-7-[(2-methoxyphenyl)diazenyl]-3-methylnaphthalen-1-yl]acetamide
CID 136634815
N-(2-ethyl-4-methylphenyl)benzamide
CID 174323635
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 3798515
4-(carbonisocyanidoylamino)-N-(3,6,8-trimethylnaphthalen-1-yl)benzamide
CID 159271261
3-methyl-N-[3-[(3-methylbenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
CID 4250070

Frequently Asked Questions

What is the IUPAC name of N-[7-[(2,4-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]benzamide?
The IUPAC name of N-[7-[(2,4-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]benzamide (CID 135698143) is N-[7-[(2,4-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]benzamide.
What is the SMILES notation for N-[7-[(2,4-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]benzamide?
The canonical SMILES for N-[7-[(2,4-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]benzamide is Cc1ccc(/N=N/c2c(C)cc3cc(C)cc(NC(=O)c4ccccc4)c3c2O)c(C)c1.
What is the InChIKey of N-[7-[(2,4-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]benzamide?
The InChIKey is YUUVQRWVDJVUGA-QVIHXGFCSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-16-10-11-22(18(3)12-16)29-30-25-19(4)15-21-13-17(2)14-23(24(21)26(25)31)28-27(32)20-8-6-5-7-9-20/h5-15,31H,1-4H3,(H,28,32)/b30-29+.
What are the key properties of N-[7-[(2,4-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]benzamide?
N-[7-[(2,4-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]benzamide has a molecular weight of 423.52 g/mol, XLogP of 7.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(2,4-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]benzamide is sourced from PubChem (CID 135698143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).