N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide

C17H16F2N2O3 — CID 46454255

IUPACN-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(OC(F)F)c2)c1
InChIInChI=1S/C17H16F2N2O3/c1-10-6-7-13(20-11(2)22)9-15(10)21-16(23)12-4-3-5-14(8-12)24-17(18)19/h3-9,17H,1-2H3,(H,20,22)(H,21,23)
InChIKeyPOKXSAYSMAHUQQ-UHFFFAOYSA-N
MW334.32 g/mol
LogP3.81
Rot. Bonds5

About N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide

N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide (PubChem CID 46454255) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide
PubChem CID46454255
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC NameN-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(OC(F)F)c2)c1
InChIInChI=1S/C17H16F2N2O3/c1-10-6-7-13(20-11(2)22)9-15(10)21-16(23)12-4-3-5-14(8-12)24-17(18)19/h3-9,17H,1-2H3,(H,20,22)(H,21,23)
InChIKeyPOKXSAYSMAHUQQ-UHFFFAOYSA-N
XLogP3.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
N-(5-acetamido-2-methylphenyl)-3-ethoxybenzamide
CID 108788826
3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide
CID 844019
N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 28973900
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenoxybenzamide
CID 55708450
3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 7925214
N-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46455012
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide
CID 26521263
N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide
CID 60764705
N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86986176
3-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 8698643
3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide
CID 39185194

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide (CID 46454255) is N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide is CC(=O)Nc1ccc(C)c(NC(=O)c2cccc(OC(F)F)c2)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide?
The InChIKey is POKXSAYSMAHUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-10-6-7-13(20-11(2)22)9-15(10)21-16(23)12-4-3-5-14(8-12)24-17(18)19/h3-9,17H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide?
N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide has a molecular weight of 334.32 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 46454255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).