4-(difluoromethoxy)-2,6-di(propan-2-yl)benzamide

C14H19F2NO2 — CID 151521559

IUPAC4-(difluoromethoxy)-2,6-di(propan-2-yl)benzamide
SMILESCC(C)c1cc(OC(F)F)cc(C(C)C)c1C(N)=O
InChIInChI=1S/C14H19F2NO2/c1-7(2)10-5-9(19-14(15)16)6-11(8(3)4)12(10)13(17)18/h5-8,14H,1-4H3,(H2,17,18)
InChIKeyPUOYZPPQKINQPP-UHFFFAOYSA-N
MW271.31 g/mol
LogP3.63
Rot. Bonds5

About 4-(difluoromethoxy)-2,6-di(propan-2-yl)benzamide

4-(difluoromethoxy)-2,6-di(propan-2-yl)benzamide (PubChem CID 151521559) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2,6-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-2,6-di(propan-2-yl)benzamide
PubChem CID151521559
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name4-(difluoromethoxy)-2,6-di(propan-2-yl)benzamide
SMILESCC(C)c1cc(OC(F)F)cc(C(C)C)c1C(N)=O
InChIInChI=1S/C14H19F2NO2/c1-7(2)10-5-9(19-14(15)16)6-11(8(3)4)12(10)13(17)18/h5-8,14H,1-4H3,(H2,17,18)
InChIKeyPUOYZPPQKINQPP-UHFFFAOYSA-N
XLogP3.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenoxy-2,6-di(propan-2-yl)benzamide
CID 174677959
[3-chloro-5-(difluoromethoxy)phenyl] carbamate
CID 174190375
1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone
CID 131525559
1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone
CID 121228158
3-(difluoromethoxy)-5-(trifluoromethyl)benzamide
CID 175797774
4-(difluoromethoxy)-2-hydroxybenzamide
CID 141002128
5-(difluoromethoxy)-2-(2-hydroxyethyl)benzamide
CID 173469692
2-[4-(difluoromethoxy)-2-propan-2-ylphenyl]acetonitrile
CID 151460723
2-(bromomethyl)-4-(difluoromethoxy)-6-methylbenzoic acid
CID 171023844
(1R)-1-[4-(difluoromethoxy)-2-fluorophenyl]ethanol
CID 107720298
3-amino-5-(difluoromethoxy)benzoic acid
CID 167715901
(5-methyl-2-propan-2-ylphenyl) 4-(difluoromethoxy)benzoate
CID 2461110

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2,6-di(propan-2-yl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-2,6-di(propan-2-yl)benzamide (CID 151521559) is 4-(difluoromethoxy)-2,6-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-2,6-di(propan-2-yl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-2,6-di(propan-2-yl)benzamide is CC(C)c1cc(OC(F)F)cc(C(C)C)c1C(N)=O.
What is the InChIKey of 4-(difluoromethoxy)-2,6-di(propan-2-yl)benzamide?
The InChIKey is PUOYZPPQKINQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-7(2)10-5-9(19-14(15)16)6-11(8(3)4)12(10)13(17)18/h5-8,14H,1-4H3,(H2,17,18).
What are the key properties of 4-(difluoromethoxy)-2,6-di(propan-2-yl)benzamide?
4-(difluoromethoxy)-2,6-di(propan-2-yl)benzamide has a molecular weight of 271.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2,6-di(propan-2-yl)benzamide is sourced from PubChem (CID 151521559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).