N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide

C17H16F2N2O2 — CID 113002290

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C17H16F2N2O2/c1-11-5-7-12(8-6-11)9-15(22)20-10-16(23)21-17-13(18)3-2-4-14(17)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyZUBSARKLXJFBES-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.57
Rot. Bonds5

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide (PubChem CID 113002290) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
PubChem CID113002290
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C17H16F2N2O2/c1-11-5-7-12(8-6-11)9-15(22)20-10-16(23)21-17-13(18)3-2-4-14(17)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyZUBSARKLXJFBES-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46745022
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 113001445
2-acetamido-N-(2,6-difluorophenyl)acetamide
CID 110687110
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 49335487
2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 108997244
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113000660
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(4-hydroxyphenyl)acetamide
CID 78821982
ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate
CID 113002294
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112997921
N-[2-(2,6-difluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 110698062
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 27676992

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide (CID 113002290) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCC(=O)Nc2c(F)cccc2F)cc1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide?
The InChIKey is ZUBSARKLXJFBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-11-5-7-12(8-6-11)9-15(22)20-10-16(23)21-17-13(18)3-2-4-14(17)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide has a molecular weight of 318.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113002290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).