3-iodo-4-methoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide

C22H19IN2O3 — CID 26164546

IUPAC3-iodo-4-methoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C)c3)c2)cc1I
InChIInChI=1S/C22H19IN2O3/c1-14-5-3-7-17(11-14)24-21(26)15-6-4-8-18(12-15)25-22(27)16-9-10-20(28-2)19(23)13-16/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyZTFBEJKHWPWJLW-UHFFFAOYSA-N
MW486.31 g/mol
LogP5.11
Rot. Bonds5

About 3-iodo-4-methoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide

3-iodo-4-methoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide (PubChem CID 26164546) has the molecular formula C22H19IN2O3 and a molecular weight of 486.31 g/mol. Its IUPAC name is 3-iodo-4-methoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-iodo-4-methoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
PubChem CID26164546
Molecular FormulaC22H19IN2O3
Molecular Weight486.31 g/mol
Exact Mass486.04
IUPAC Name3-iodo-4-methoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C)c3)c2)cc1I
InChIInChI=1S/C22H19IN2O3/c1-14-5-3-7-17(11-14)24-21(26)15-6-4-8-18(12-15)25-22(27)16-9-10-20(28-2)19(23)13-16/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyZTFBEJKHWPWJLW-UHFFFAOYSA-N
XLogP5.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.31
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-iodo-4-methoxy-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 43878187
N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide
CID 1010448
3-benzamido-N-(2-methoxy-4-methylphenyl)benzamide
CID 5082074
3-iodo-4-methoxy-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079543
3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231092
3-methyl-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126229364
1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea
CID 5186503
3-acetamido-N-(3-acetylphenyl)-4-methoxybenzamide
CID 110764313
3-hydroxy-N-(3-iodophenyl)-4-methoxybenzamide
CID 79672942
3-acetamido-N-(2,4-dimethoxy-3-methylphenyl)benzamide
CID 110792976
1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 58018070
N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide
CID 17359975

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 3-iodo-4-methoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide (CID 26164546) is 3-iodo-4-methoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3-iodo-4-methoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 3-iodo-4-methoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C)c3)c2)cc1I.
What is the InChIKey of 3-iodo-4-methoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide?
The InChIKey is ZTFBEJKHWPWJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19IN2O3/c1-14-5-3-7-17(11-14)24-21(26)15-6-4-8-18(12-15)25-22(27)16-9-10-20(28-2)19(23)13-16/h3-13H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-iodo-4-methoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide?
3-iodo-4-methoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide has a molecular weight of 486.31 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 26164546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).