N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide

C16H16F2N2O3 — CID 109009628

IUPACN-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C16H16F2N2O3/c1-22-14-6-4-10(8-15(14)23-2)19-9-16(21)20-11-3-5-12(17)13(18)7-11/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyVGLXUZDMVHRUDM-UHFFFAOYSA-N
MW322.31 g/mol
LogP3.03
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide

N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide (PubChem CID 109009628) has the molecular formula C16H16F2N2O3 and a molecular weight of 322.31 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide
PubChem CID109009628
Molecular FormulaC16H16F2N2O3
Molecular Weight322.31 g/mol
Exact Mass322.11
IUPAC NameN-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C16H16F2N2O3/c1-22-14-6-4-10(8-15(14)23-2)19-9-16(21)20-11-3-5-12(17)13(18)7-11/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyVGLXUZDMVHRUDM-UHFFFAOYSA-N
XLogP3.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 53.03
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

3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040581
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792
2-(4-fluoro-3-methoxyanilino)-N-(3-fluorophenyl)acetamide
CID 114839513
2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099482
N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)acetamide
CID 37465407
2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9080374
N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009580
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109011257
2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide
CID 9098972
2-(4,5-dimethoxy-2-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9105356
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide (CID 109009628) is N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide is COc1ccc(NCC(=O)Nc2ccc(F)c(F)c2)cc1OC.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide?
The InChIKey is VGLXUZDMVHRUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3/c1-22-14-6-4-10(8-15(14)23-2)19-9-16(21)20-11-3-5-12(17)13(18)7-11/h3-8,19H,9H2,1-2H3,(H,20,21).
What are the key properties of N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide?
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide has a molecular weight of 322.31 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide is sourced from PubChem (CID 109009628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).