N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-methylbenzamide

C16H11F5N2O2 — CID 174970141

IUPACN-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(F)ccc(NC(=O)C(F)(F)F)c2F)c1
InChIInChI=1S/C16H11F5N2O2/c1-8-3-2-4-9(7-8)14(24)23-13-10(17)5-6-11(12(13)18)22-15(25)16(19,20)21/h2-7H,1H3,(H,22,25)(H,23,24)
InChIKeyOSQNWGPAPWMNBK-UHFFFAOYSA-N
MW358.27 g/mol
LogP4.03
Rot. Bonds3

About N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-methylbenzamide

N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-methylbenzamide (PubChem CID 174970141) has the molecular formula C16H11F5N2O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-methylbenzamide
PubChem CID174970141
Molecular FormulaC16H11F5N2O2
Molecular Weight358.27 g/mol
Exact Mass358.07
IUPAC NameN-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(F)ccc(NC(=O)C(F)(F)F)c2F)c1
InChIInChI=1S/C16H11F5N2O2/c1-8-3-2-4-9(7-8)14(24)23-13-10(17)5-6-11(12(13)18)22-15(25)16(19,20)21/h2-7H,1H3,(H,22,25)(H,23,24)
InChIKeyOSQNWGPAPWMNBK-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(2,2-difluoroacetyl)amino]-2,6-difluorophenyl]-3-methylbenzamide
CID 174970231
N-[2,4-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-fluorobenzamide
CID 174970180
3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934154
N-(2-fluoro-4-iodophenyl)-3-methylbenzamide
CID 17102075
N-(4-fluoro-2-methylphenyl)-3-methylbenzamide
CID 2550656
3-[(2-fluoro-5-methylphenyl)carbamoyl]benzoic acid
CID 43452946
N-(2,6-difluoro-3-methylphenyl)benzamide
CID 82819371
N-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 26522930
N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide
CID 4702291
3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
CID 108934541
N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate
CID 51058525
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530

Frequently Asked Questions

What is the IUPAC name of N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-methylbenzamide?
The IUPAC name of N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-methylbenzamide (CID 174970141) is N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2c(F)ccc(NC(=O)C(F)(F)F)c2F)c1.
What is the InChIKey of N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-methylbenzamide?
The InChIKey is OSQNWGPAPWMNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N2O2/c1-8-3-2-4-9(7-8)14(24)23-13-10(17)5-6-11(12(13)18)22-15(25)16(19,20)21/h2-7H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-methylbenzamide?
N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-methylbenzamide has a molecular weight of 358.27 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-methylbenzamide is sourced from PubChem (CID 174970141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).