4-(difluoromethoxy)-N-(3-iodo-4-methylphenyl)benzamide

C15H12F2INO2 — CID 2676650

IUPAC4-(difluoromethoxy)-N-(3-iodo-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1I
InChIInChI=1S/C15H12F2INO2/c1-9-2-5-11(8-13(9)18)19-14(20)10-3-6-12(7-4-10)21-15(16)17/h2-8,15H,1H3,(H,19,20)
InChIKeyKICIWXXZRYBYOE-UHFFFAOYSA-N
MW403.17 g/mol
LogP4.45
Rot. Bonds4

About 4-(difluoromethoxy)-N-(3-iodo-4-methylphenyl)benzamide

4-(difluoromethoxy)-N-(3-iodo-4-methylphenyl)benzamide (PubChem CID 2676650) has the molecular formula C15H12F2INO2 and a molecular weight of 403.17 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(3-iodo-4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(3-iodo-4-methylphenyl)benzamide
PubChem CID2676650
Molecular FormulaC15H12F2INO2
Molecular Weight403.17 g/mol
Exact Mass402.99
IUPAC Name4-(difluoromethoxy)-N-(3-iodo-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1I
InChIInChI=1S/C15H12F2INO2/c1-9-2-5-11(8-13(9)18)19-14(20)10-3-6-12(7-4-10)21-15(16)17/h2-8,15H,1H3,(H,19,20)
InChIKeyKICIWXXZRYBYOE-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.17
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
4-(difluoromethoxy)-N-naphthalen-2-ylbenzamide
CID 2666065
N-(4-butan-2-yloxyphenyl)-3-iodo-4-methylbenzamide
CID 17160577
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
N-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide
CID 7778576
4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide
CID 1224653
ethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 2677138
4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide
CID 26027108
3,5-dichloro-N-(3-iodo-4-methylphenyl)benzamide
CID 7925565
dimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate
CID 2682917
3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
CID 43707949
ethyl (E)-3-[4-[[4-(difluoromethoxy)benzoyl]amino]phenyl]prop-2-enoate
CID 27902221

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(3-iodo-4-methylphenyl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(3-iodo-4-methylphenyl)benzamide (CID 2676650) is 4-(difluoromethoxy)-N-(3-iodo-4-methylphenyl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(3-iodo-4-methylphenyl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(3-iodo-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1I.
What is the InChIKey of 4-(difluoromethoxy)-N-(3-iodo-4-methylphenyl)benzamide?
The InChIKey is KICIWXXZRYBYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2INO2/c1-9-2-5-11(8-13(9)18)19-14(20)10-3-6-12(7-4-10)21-15(16)17/h2-8,15H,1H3,(H,19,20).
What are the key properties of 4-(difluoromethoxy)-N-(3-iodo-4-methylphenyl)benzamide?
4-(difluoromethoxy)-N-(3-iodo-4-methylphenyl)benzamide has a molecular weight of 403.17 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(3-iodo-4-methylphenyl)benzamide is sourced from PubChem (CID 2676650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).