N-[(2R)-2-cyano-1-(3,4-difluorophenoxy)propan-2-yl]-4-(difluoromethoxy)benzamide

C18H14F4N2O3 — CID 96537865

IUPACN-[(2R)-2-cyano-1-(3,4-difluorophenoxy)propan-2-yl]-4-(difluoromethoxy)benzamide
SMILESC[C@@](C#N)(COc1ccc(F)c(F)c1)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H14F4N2O3/c1-18(9-23,10-26-13-6-7-14(19)15(20)8-13)24-16(25)11-2-4-12(5-3-11)27-17(21)22/h2-8,17H,10H2,1H3,(H,24,25)/t18-/m1/s1
InChIKeyKOGWGTQAKPJOPF-GOSISDBHSA-N
MW382.31 g/mol
LogP3.66
Rot. Bonds7

About N-[(2R)-2-cyano-1-(3,4-difluorophenoxy)propan-2-yl]-4-(difluoromethoxy)benzamide

N-[(2R)-2-cyano-1-(3,4-difluorophenoxy)propan-2-yl]-4-(difluoromethoxy)benzamide (PubChem CID 96537865) has the molecular formula C18H14F4N2O3 and a molecular weight of 382.31 g/mol. Its IUPAC name is N-[(2R)-2-cyano-1-(3,4-difluorophenoxy)propan-2-yl]-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-cyano-1-(3,4-difluorophenoxy)propan-2-yl]-4-(difluoromethoxy)benzamide
PubChem CID96537865
Molecular FormulaC18H14F4N2O3
Molecular Weight382.31 g/mol
Exact Mass382.09
IUPAC NameN-[(2R)-2-cyano-1-(3,4-difluorophenoxy)propan-2-yl]-4-(difluoromethoxy)benzamide
SMILESC[C@@](C#N)(COc1ccc(F)c(F)c1)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H14F4N2O3/c1-18(9-23,10-26-13-6-7-14(19)15(20)8-13)24-16(25)11-2-4-12(5-3-11)27-17(21)22/h2-8,17H,10H2,1H3,(H,24,25)/t18-/m1/s1
InChIKeyKOGWGTQAKPJOPF-GOSISDBHSA-N
XLogP3.66
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-1-phenoxypropan-2-yl)-4-[4-(trifluoromethyl)benzoyl]benzamide
CID 10225960
N-[2-cyano-1-[4-(trifluoromethyl)phenoxy]propan-2-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 91283342
N-[1-(2-chloro-5-fluorophenoxy)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 24808425
N-(1-bromo-2-methylbutan-2-yl)-4-(difluoromethoxy)benzamide
CID 114314541
N-[1-(2-bromo-4-cyanophenoxy)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 11784618
methyl 3-(3,4-difluorophenoxy)-2,2-dimethylpropanoate
CID 79622618
N-[(2R)-1-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]-5-cyanophenoxy]-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 88879523
N-[1-(2-chloro-4-cyanophenoxy)-2-cyanopropan-2-yl]-4-(trifluoromethyl)benzamide
CID 11338760
N-[(2S)-1-[4-chloro-2-(2,4-dichlorophenoxy)phenoxy]-2-cyanopropan-2-yl]-4-(trifluoromethylsulfanyl)benzamide
CID 87383419
N-[(2R)-2-cyano-1-(3-hydroxy-2-propylphenoxy)propan-2-yl]-4-(trifluoromethoxy)benzamide
CID 124672749
N-[2-cyano-1-(3-hydroxy-2-propylphenoxy)propan-2-yl]-4-(trifluoromethoxy)benzamide
CID 90459091
4-chloro-N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]benzohydrazide
CID 2340459

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyano-1-(3,4-difluorophenoxy)propan-2-yl]-4-(difluoromethoxy)benzamide?
The IUPAC name of N-[(2R)-2-cyano-1-(3,4-difluorophenoxy)propan-2-yl]-4-(difluoromethoxy)benzamide (CID 96537865) is N-[(2R)-2-cyano-1-(3,4-difluorophenoxy)propan-2-yl]-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[(2R)-2-cyano-1-(3,4-difluorophenoxy)propan-2-yl]-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-[(2R)-2-cyano-1-(3,4-difluorophenoxy)propan-2-yl]-4-(difluoromethoxy)benzamide is C[C@@](C#N)(COc1ccc(F)c(F)c1)NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[(2R)-2-cyano-1-(3,4-difluorophenoxy)propan-2-yl]-4-(difluoromethoxy)benzamide?
The InChIKey is KOGWGTQAKPJOPF-GOSISDBHSA-N. The full InChI is InChI=1S/C18H14F4N2O3/c1-18(9-23,10-26-13-6-7-14(19)15(20)8-13)24-16(25)11-2-4-12(5-3-11)27-17(21)22/h2-8,17H,10H2,1H3,(H,24,25)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-cyano-1-(3,4-difluorophenoxy)propan-2-yl]-4-(difluoromethoxy)benzamide?
N-[(2R)-2-cyano-1-(3,4-difluorophenoxy)propan-2-yl]-4-(difluoromethoxy)benzamide has a molecular weight of 382.31 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyano-1-(3,4-difluorophenoxy)propan-2-yl]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 96537865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).