N-[3-[(2,2-difluoroacetyl)amino]-2,6-difluorophenyl]-3-methylbenzamide

C16H12F4N2O2 — CID 174970231

IUPACN-[3-[(2,2-difluoroacetyl)amino]-2,6-difluorophenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(F)ccc(NC(=O)C(F)F)c2F)c1
InChIInChI=1S/C16H12F4N2O2/c1-8-3-2-4-9(7-8)15(23)22-13-10(17)5-6-11(12(13)18)21-16(24)14(19)20/h2-7,14H,1H3,(H,21,24)(H,22,23)
InChIKeySLQZUPLYZMQDHP-UHFFFAOYSA-N
MW340.28 g/mol
LogP3.73
Rot. Bonds4

About N-[3-[(2,2-difluoroacetyl)amino]-2,6-difluorophenyl]-3-methylbenzamide

N-[3-[(2,2-difluoroacetyl)amino]-2,6-difluorophenyl]-3-methylbenzamide (PubChem CID 174970231) has the molecular formula C16H12F4N2O2 and a molecular weight of 340.28 g/mol. Its IUPAC name is N-[3-[(2,2-difluoroacetyl)amino]-2,6-difluorophenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(2,2-difluoroacetyl)amino]-2,6-difluorophenyl]-3-methylbenzamide
PubChem CID174970231
Molecular FormulaC16H12F4N2O2
Molecular Weight340.28 g/mol
Exact Mass340.08
IUPAC NameN-[3-[(2,2-difluoroacetyl)amino]-2,6-difluorophenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(F)ccc(NC(=O)C(F)F)c2F)c1
InChIInChI=1S/C16H12F4N2O2/c1-8-3-2-4-9(7-8)15(23)22-13-10(17)5-6-11(12(13)18)21-16(24)14(19)20/h2-7,14H,1H3,(H,21,24)(H,22,23)
InChIKeySLQZUPLYZMQDHP-UHFFFAOYSA-N
XLogP3.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-methylbenzamide
CID 174970141
N-(4-fluoro-2-methylphenyl)-3-methylbenzamide
CID 2550656
N-[2,4-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-fluorobenzamide
CID 174970180
N-(2-fluoro-4-iodophenyl)-3-methylbenzamide
CID 17102075
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885510
N-(5-fluoro-2-methylphenyl)-3-methylbenzamide
CID 4522552
N-(2-amino-4-fluorophenyl)-3-methylbenzamide;formic acid
CID 178102332
N-(2,6-difluoro-3-methylphenyl)benzamide
CID 82819371
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate
CID 51058525
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide
CID 103515626

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,2-difluoroacetyl)amino]-2,6-difluorophenyl]-3-methylbenzamide?
The IUPAC name of N-[3-[(2,2-difluoroacetyl)amino]-2,6-difluorophenyl]-3-methylbenzamide (CID 174970231) is N-[3-[(2,2-difluoroacetyl)amino]-2,6-difluorophenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[(2,2-difluoroacetyl)amino]-2,6-difluorophenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[(2,2-difluoroacetyl)amino]-2,6-difluorophenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2c(F)ccc(NC(=O)C(F)F)c2F)c1.
What is the InChIKey of N-[3-[(2,2-difluoroacetyl)amino]-2,6-difluorophenyl]-3-methylbenzamide?
The InChIKey is SLQZUPLYZMQDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2O2/c1-8-3-2-4-9(7-8)15(23)22-13-10(17)5-6-11(12(13)18)21-16(24)14(19)20/h2-7,14H,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-[(2,2-difluoroacetyl)amino]-2,6-difluorophenyl]-3-methylbenzamide?
N-[3-[(2,2-difluoroacetyl)amino]-2,6-difluorophenyl]-3-methylbenzamide has a molecular weight of 340.28 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,2-difluoroacetyl)amino]-2,6-difluorophenyl]-3-methylbenzamide is sourced from PubChem (CID 174970231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).