N-(5-tert-butyl-2-methoxyphenyl)-2-(difluoromethoxy)benzamide

C19H21F2NO3 — CID 7718712

IUPACN-(5-tert-butyl-2-methoxyphenyl)-2-(difluoromethoxy)benzamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C19H21F2NO3/c1-19(2,3)12-9-10-16(24-4)14(11-12)22-17(23)13-7-5-6-8-15(13)25-18(20)21/h5-11,18H,1-4H3,(H,22,23)
InChIKeyHLICEBLXTFRNCW-UHFFFAOYSA-N
MW349.38 g/mol
LogP4.85
Rot. Bonds5

About N-(5-tert-butyl-2-methoxyphenyl)-2-(difluoromethoxy)benzamide

N-(5-tert-butyl-2-methoxyphenyl)-2-(difluoromethoxy)benzamide (PubChem CID 7718712) has the molecular formula C19H21F2NO3 and a molecular weight of 349.38 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-2-(difluoromethoxy)benzamide
PubChem CID7718712
Molecular FormulaC19H21F2NO3
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-2-(difluoromethoxy)benzamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C19H21F2NO3/c1-19(2,3)12-9-10-16(24-4)14(11-12)22-17(23)13-7-5-6-8-15(13)25-18(20)21/h5-11,18H,1-4H3,(H,22,23)
InChIKeyHLICEBLXTFRNCW-UHFFFAOYSA-N
XLogP4.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-(difluoromethoxy)benzamide (CID 7718712) is N-(5-tert-butyl-2-methoxyphenyl)-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-2-(difluoromethoxy)benzamide is COc1ccc(C(C)(C)C)cc1NC(=O)c1ccccc1OC(F)F.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-2-(difluoromethoxy)benzamide?
The InChIKey is HLICEBLXTFRNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO3/c1-19(2,3)12-9-10-16(24-4)14(11-12)22-17(23)13-7-5-6-8-15(13)25-18(20)21/h5-11,18H,1-4H3,(H,22,23).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-2-(difluoromethoxy)benzamide?
N-(5-tert-butyl-2-methoxyphenyl)-2-(difluoromethoxy)benzamide has a molecular weight of 349.38 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 7718712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).