N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide

C17H11F8NO3 — CID 46540432

IUPACN-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC(F)F
InChIInChI=1S/C17H11F8NO3/c1-28-12-3-2-11(7-13(12)29-15(18)19)26-14(27)8-4-9(16(20,21)22)6-10(5-8)17(23,24)25/h2-7,15H,1H3,(H,26,27)
InChIKeyLVUNVUMCGGIYEW-UHFFFAOYSA-N
MW429.26 g/mol
LogP5.59
Rot. Bonds5

About N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide

N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 46540432) has the molecular formula C17H11F8NO3 and a molecular weight of 429.26 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID46540432
Molecular FormulaC17H11F8NO3
Molecular Weight429.26 g/mol
Exact Mass429.06
IUPAC NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC(F)F
InChIInChI=1S/C17H11F8NO3/c1-28-12-3-2-11(7-13(12)29-15(18)19)26-14(27)8-4-9(16(20,21)22)6-10(5-8)17(23,24)25/h2-7,15H,1H3,(H,26,27)
InChIKeyLVUNVUMCGGIYEW-UHFFFAOYSA-N
XLogP5.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.26
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 38082386
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
methyl 3-[[3-(difluoromethoxy)-4-methoxyphenyl]carbamoyl]-5-nitrobenzoate
CID 38082437
N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55762006
1-tert-butyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 78842481
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 35389984
4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 31398138
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 46450594
N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 1013270
2-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 43712827
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18226804
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide (CID 46540432) is N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide is COc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC(F)F.
What is the InChIKey of N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is LVUNVUMCGGIYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F8NO3/c1-28-12-3-2-11(7-13(12)29-15(18)19)26-14(27)8-4-9(16(20,21)22)6-10(5-8)17(23,24)25/h2-7,15H,1H3,(H,26,27).
What are the key properties of N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide?
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 429.26 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 46540432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).