N-[2-[(4-chlorophenyl)diazenyl]-3-methoxyphenyl]benzamide

C20H16ClN3O2 — CID 132523052

IUPACN-[2-[(4-chlorophenyl)diazenyl]-3-methoxyphenyl]benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2)c1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN3O2/c1-26-18-9-5-8-17(22-20(25)14-6-3-2-4-7-14)19(18)24-23-16-12-10-15(21)11-13-16/h2-13H,1H3,(H,22,25)/b24-23+
InChIKeyWDQCILWYQUZYLW-WCWDXBQESA-N
MW365.82 g/mol
LogP6.02
Rot. Bonds5

About N-[2-[(4-chlorophenyl)diazenyl]-3-methoxyphenyl]benzamide

N-[2-[(4-chlorophenyl)diazenyl]-3-methoxyphenyl]benzamide (PubChem CID 132523052) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)diazenyl]-3-methoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)diazenyl]-3-methoxyphenyl]benzamide
PubChem CID132523052
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC NameN-[2-[(4-chlorophenyl)diazenyl]-3-methoxyphenyl]benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2)c1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN3O2/c1-26-18-9-5-8-17(22-20(25)14-6-3-2-4-7-14)19(18)24-23-16-12-10-15(21)11-13-16/h2-13H,1H3,(H,22,25)/b24-23+
InChIKeyWDQCILWYQUZYLW-WCWDXBQESA-N
XLogP6.02
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.82
LogP ≤ 56.02
H-Bond Donors ≤ 51
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

N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-[3-methoxy-2-(2-methoxyacetyl)phenyl]benzamide
CID 10614085
N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26877905
N-(2-methoxyphenyl)furan-3-carboxamide
CID 17437625
N-[4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26210798
N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide
CID 19187598
4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide
CID 56782948
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7816201
3-anilino-N-(2-methoxyphenyl)benzamide
CID 3501279
4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268879

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)diazenyl]-3-methoxyphenyl]benzamide?
The IUPAC name of N-[2-[(4-chlorophenyl)diazenyl]-3-methoxyphenyl]benzamide (CID 132523052) is N-[2-[(4-chlorophenyl)diazenyl]-3-methoxyphenyl]benzamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)diazenyl]-3-methoxyphenyl]benzamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)diazenyl]-3-methoxyphenyl]benzamide is COc1cccc(NC(=O)c2ccccc2)c1/N=N/c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)diazenyl]-3-methoxyphenyl]benzamide?
The InChIKey is WDQCILWYQUZYLW-WCWDXBQESA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-26-18-9-5-8-17(22-20(25)14-6-3-2-4-7-14)19(18)24-23-16-12-10-15(21)11-13-16/h2-13H,1H3,(H,22,25)/b24-23+.
What are the key properties of N-[2-[(4-chlorophenyl)diazenyl]-3-methoxyphenyl]benzamide?
N-[2-[(4-chlorophenyl)diazenyl]-3-methoxyphenyl]benzamide has a molecular weight of 365.82 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)diazenyl]-3-methoxyphenyl]benzamide is sourced from PubChem (CID 132523052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).