N-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide

C17H18F2N2O3 — CID 51108580

IUPACN-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccccc2OC(F)F)c(C)c1
InChIInChI=1S/C17H18F2N2O3/c1-11-9-12(23-2)7-8-13(11)20-10-16(22)21-14-5-3-4-6-15(14)24-17(18)19/h3-9,17,20H,10H2,1-2H3,(H,21,22)
InChIKeyHWVBMFIUGJZZEP-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.66
Rot. Bonds7

About N-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide

N-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide (PubChem CID 51108580) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide
PubChem CID51108580
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccccc2OC(F)F)c(C)c1
InChIInChI=1S/C17H18F2N2O3/c1-11-9-12(23-2)7-8-13(11)20-10-16(22)21-14-5-3-4-6-15(14)24-17(18)19/h3-9,17,20H,10H2,1-2H3,(H,21,22)
InChIKeyHWVBMFIUGJZZEP-UHFFFAOYSA-N
XLogP3.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 9102880
N-(2-chlorophenyl)-2-(4-methoxy-2-methylanilino)acetamide
CID 62871342
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyanilino)acetamide
CID 9102233
2-[2-(difluoromethylsulfanyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 17395137
methyl 3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-2-methylbenzoate
CID 34075412
2-anilino-N-(4-methoxy-2-methylphenyl)acetamide
CID 62871353
2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 9099494
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119715086
2-(4,5-dimethoxy-2-methylanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 9105392
2-[2-(2-chlorophenoxy)anilino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 35822670
N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide
CID 30567589
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8554816

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide (CID 51108580) is N-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide is COc1ccc(NCC(=O)Nc2ccccc2OC(F)F)c(C)c1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide?
The InChIKey is HWVBMFIUGJZZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-11-9-12(23-2)7-8-13(11)20-10-16(22)21-14-5-3-4-6-15(14)24-17(18)19/h3-9,17,20H,10H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide?
N-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide has a molecular weight of 336.34 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide is sourced from PubChem (CID 51108580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).