N-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide

C16H14F3NO2 — CID 87025999

IUPACN-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(OC(F)F)c(F)c2)c(C)c1
InChIInChI=1S/C16H14F3NO2/c1-9-3-5-12(10(2)7-9)15(21)20-11-4-6-14(13(17)8-11)22-16(18)19/h3-8,16H,1-2H3,(H,20,21)
InChIKeyWEQLVUUQRYZGNV-UHFFFAOYSA-N
MW309.29 g/mol
LogP4.30
Rot. Bonds4

About N-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide

N-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide (PubChem CID 87025999) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide
PubChem CID87025999
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC NameN-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(OC(F)F)c(F)c2)c(C)c1
InChIInChI=1S/C16H14F3NO2/c1-9-3-5-12(10(2)7-9)15(21)20-11-4-6-14(13(17)8-11)22-16(18)19/h3-8,16H,1-2H3,(H,20,21)
InChIKeyWEQLVUUQRYZGNV-UHFFFAOYSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420
N-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 115678718
N-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide
CID 79782174
N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide
CID 61062106
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87026065
5-bromo-2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]-4-fluorobenzamide
CID 171463789
2-(difluoromethoxy)-N-(3-fluoro-4-methylphenyl)-5-nitrobenzamide
CID 112806014
N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 87026056
1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea
CID 47261837
N-(3,4-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 9210303
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-5-methylbenzamide
CID 43381005

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide (CID 87025999) is N-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(OC(F)F)c(F)c2)c(C)c1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide?
The InChIKey is WEQLVUUQRYZGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-9-3-5-12(10(2)7-9)15(21)20-11-4-6-14(13(17)8-11)22-16(18)19/h3-8,16H,1-2H3,(H,20,21).
What are the key properties of N-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide?
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide has a molecular weight of 309.29 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 87025999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).