N-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide

C15H12F3NO2 — CID 79782174

IUPACN-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(OC(F)F)c2)c(F)c1
InChIInChI=1S/C15H12F3NO2/c1-9-5-6-12(13(16)7-9)14(20)19-10-3-2-4-11(8-10)21-15(17)18/h2-8,15H,1H3,(H,19,20)
InChIKeyFARJFXPEOPQIPU-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.99
Rot. Bonds4

About N-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide

N-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide (PubChem CID 79782174) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide
PubChem CID79782174
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC NameN-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(OC(F)F)c2)c(F)c1
InChIInChI=1S/C15H12F3NO2/c1-9-5-6-12(13(16)7-9)14(20)19-10-3-2-4-11(8-10)21-15(17)18/h2-8,15H,1H3,(H,19,20)
InChIKeyFARJFXPEOPQIPU-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38032669
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide
CID 87025999
2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 59014806
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
2-chloro-N-(3-methoxyphenyl)-4-methylbenzamide
CID 886020
N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide
CID 115497227
2-amino-N-(3-methoxyphenyl)-5-methylbenzamide
CID 55069541
N-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide
CID 47222176
4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
CID 47311708
N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide
CID 107582986
N-[3-(carbamoylamino)phenyl]-2-fluoro-5-methylbenzamide
CID 62513164

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide (CID 79782174) is N-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(OC(F)F)c2)c(F)c1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide?
The InChIKey is FARJFXPEOPQIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-9-5-6-12(13(16)7-9)14(20)19-10-3-2-4-11(8-10)21-15(17)18/h2-8,15H,1H3,(H,19,20).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide?
N-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide has a molecular weight of 295.26 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 79782174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).