4-(difluoromethoxy)-N-[(4-methylphenyl)methoxy]benzamide

C16H15F2NO3 — CID 2423991

IUPAC4-(difluoromethoxy)-N-[(4-methylphenyl)methoxy]benzamide
SMILESCc1ccc(CONC(=O)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C16H15F2NO3/c1-11-2-4-12(5-3-11)10-21-19-15(20)13-6-8-14(9-7-13)22-16(17)18/h2-9,16H,10H2,1H3,(H,19,20)
InChIKeyDDNOOYJXWSRTCN-UHFFFAOYSA-N
MW307.30 g/mol
LogP3.46
Rot. Bonds6

About 4-(difluoromethoxy)-N-[(4-methylphenyl)methoxy]benzamide

4-(difluoromethoxy)-N-[(4-methylphenyl)methoxy]benzamide (PubChem CID 2423991) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[(4-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[(4-methylphenyl)methoxy]benzamide
PubChem CID2423991
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC Name4-(difluoromethoxy)-N-[(4-methylphenyl)methoxy]benzamide
SMILESCc1ccc(CONC(=O)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C16H15F2NO3/c1-11-2-4-12(5-3-11)10-21-19-15(20)13-6-8-14(9-7-13)22-16(17)18/h2-9,16H,10H2,1H3,(H,19,20)
InChIKeyDDNOOYJXWSRTCN-UHFFFAOYSA-N
XLogP3.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[(4-methylphenyl)methoxy]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[(4-methylphenyl)methoxy]benzamide (CID 2423991) is 4-(difluoromethoxy)-N-[(4-methylphenyl)methoxy]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[(4-methylphenyl)methoxy]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[(4-methylphenyl)methoxy]benzamide is Cc1ccc(CONC(=O)c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[(4-methylphenyl)methoxy]benzamide?
The InChIKey is DDNOOYJXWSRTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3/c1-11-2-4-12(5-3-11)10-21-19-15(20)13-6-8-14(9-7-13)22-16(17)18/h2-9,16H,10H2,1H3,(H,19,20).
What are the key properties of 4-(difluoromethoxy)-N-[(4-methylphenyl)methoxy]benzamide?
4-(difluoromethoxy)-N-[(4-methylphenyl)methoxy]benzamide has a molecular weight of 307.30 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[(4-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 2423991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).