N-[4-(chlorodiazenyl)-5-methoxy-2-methylphenyl]benzamide

C15H14ClN3O2 — CID 50936931

IUPACN-[4-(chlorodiazenyl)-5-methoxy-2-methylphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(C)cc1/N=N/Cl
InChIInChI=1S/C15H14ClN3O2/c1-10-8-13(18-19-16)14(21-2)9-12(10)17-15(20)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,17,20)/b19-18+
InChIKeyOMARKCXGWCRSLG-VHEBQXMUSA-N
MW303.75 g/mol
LogP4.49
Rot. Bonds4

About N-[4-(chlorodiazenyl)-5-methoxy-2-methylphenyl]benzamide

N-[4-(chlorodiazenyl)-5-methoxy-2-methylphenyl]benzamide (PubChem CID 50936931) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-[4-(chlorodiazenyl)-5-methoxy-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[4-(chlorodiazenyl)-5-methoxy-2-methylphenyl]benzamide
PubChem CID50936931
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN-[4-(chlorodiazenyl)-5-methoxy-2-methylphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(C)cc1/N=N/Cl
InChIInChI=1S/C15H14ClN3O2/c1-10-8-13(18-19-16)14(21-2)9-12(10)17-15(20)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,17,20)/b19-18+
InChIKeyOMARKCXGWCRSLG-VHEBQXMUSA-N
XLogP4.49
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 54.49
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-methoxy-2-methyl-4-(phenylcarbamoylamino)phenyl]benzamide
CID 3546373
4-[(4-benzamido-2-methoxy-5-methylphenyl)diazenyl]-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide
CID 3019188
N-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride
CID 172831967
N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 4304532
N-[4-(fluoroamino)-2,5-dimethoxyphenyl]benzamide
CID 142075014
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
3-benzamido-4-methoxybenzenesulfonyl chloride
CID 43140030
4-benzamido-5-methoxy-2-methylbenzenediazonium
CID 23558418
N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide
CID 19187598
4-benzamido-2,5-dimethoxybenzenesulfonic acid
CID 102438408

Frequently Asked Questions

What is the IUPAC name of N-[4-(chlorodiazenyl)-5-methoxy-2-methylphenyl]benzamide?
The IUPAC name of N-[4-(chlorodiazenyl)-5-methoxy-2-methylphenyl]benzamide (CID 50936931) is N-[4-(chlorodiazenyl)-5-methoxy-2-methylphenyl]benzamide.
What is the SMILES notation for N-[4-(chlorodiazenyl)-5-methoxy-2-methylphenyl]benzamide?
The canonical SMILES for N-[4-(chlorodiazenyl)-5-methoxy-2-methylphenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(C)cc1/N=N/Cl.
What is the InChIKey of N-[4-(chlorodiazenyl)-5-methoxy-2-methylphenyl]benzamide?
The InChIKey is OMARKCXGWCRSLG-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-10-8-13(18-19-16)14(21-2)9-12(10)17-15(20)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,17,20)/b19-18+.
What are the key properties of N-[4-(chlorodiazenyl)-5-methoxy-2-methylphenyl]benzamide?
N-[4-(chlorodiazenyl)-5-methoxy-2-methylphenyl]benzamide has a molecular weight of 303.75 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chlorodiazenyl)-5-methoxy-2-methylphenyl]benzamide is sourced from PubChem (CID 50936931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).