N-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide

C18H16F4N2O3 — CID 7467659

IUPACN-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)COc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C18H16F4N2O3/c1-10-3-5-11(6-4-10)23-14(25)8-24(2)15(26)9-27-18-16(21)12(19)7-13(20)17(18)22/h3-7H,8-9H2,1-2H3,(H,23,25)
InChIKeyOVCHXSWYJAMBAC-UHFFFAOYSA-N
MW384.33 g/mol
LogP3.03
Rot. Bonds6

About N-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide

N-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide (PubChem CID 7467659) has the molecular formula C18H16F4N2O3 and a molecular weight of 384.33 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide
PubChem CID7467659
Molecular FormulaC18H16F4N2O3
Molecular Weight384.33 g/mol
Exact Mass384.11
IUPAC NameN-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)COc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C18H16F4N2O3/c1-10-3-5-11(6-4-10)23-14(25)8-24(2)15(26)9-27-18-16(21)12(19)7-13(20)17(18)22/h3-7H,8-9H2,1-2H3,(H,23,25)
InChIKeyOVCHXSWYJAMBAC-UHFFFAOYSA-N
XLogP3.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9440975
N-(4-methoxyphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9438276
2-[methyl-[2-(4-methylsulfanylphenoxy)acetyl]amino]-N-(4-methylphenyl)acetamide
CID 7893750
2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9220518
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 2571968
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide
CID 9492849
2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 24562343
2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438434
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2487559
2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 7612189
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclopropanecarboxylate
CID 7863239

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide (CID 7467659) is N-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide is Cc1ccc(NC(=O)CN(C)C(=O)COc2c(F)c(F)cc(F)c2F)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide?
The InChIKey is OVCHXSWYJAMBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O3/c1-10-3-5-11(6-4-10)23-14(25)8-24(2)15(26)9-27-18-16(21)12(19)7-13(20)17(18)22/h3-7H,8-9H2,1-2H3,(H,23,25).
What are the key properties of N-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide?
N-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide has a molecular weight of 384.33 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 7467659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).