N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluoroanilino)acetamide

C16H14F2N2O3 — CID 108998869

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluoroanilino)acetamide
SMILESO=C(CNc1ccc(F)cc1F)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H14F2N2O3/c17-11-2-3-13(12(18)6-11)19-8-16(21)20-7-10-1-4-14-15(5-10)23-9-22-14/h1-6,19H,7-9H2,(H,20,21)
InChIKeyRLLMCUMSGJVVBI-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.42
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluoroanilino)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluoroanilino)acetamide (PubChem CID 108998869) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluoroanilino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluoroanilino)acetamide
PubChem CID108998869
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluoroanilino)acetamide
SMILESO=C(CNc1ccc(F)cc1F)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H14F2N2O3/c17-11-2-3-13(12(18)6-11)19-8-16(21)20-7-10-1-4-14-15(5-10)23-9-22-14/h1-6,19H,7-9H2,(H,20,21)
InChIKeyRLLMCUMSGJVVBI-UHFFFAOYSA-N
XLogP2.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997703
N-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide
CID 4280921
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(trifluoromethyl)anilino]acetamide
CID 108998849
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 55446764
N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 51192543
N-(1,3-benzodioxol-5-ylmethyl)-2-(tert-butylamino)acetamide
CID 27149961
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 108998853
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-methoxyethoxy)anilino]acetamide
CID 52758367
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-fluorophenyl)propanediamide
CID 108947217
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 27555557
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylanilino)acetamide
CID 108998839
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021165

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluoroanilino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluoroanilino)acetamide (CID 108998869) is N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluoroanilino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluoroanilino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluoroanilino)acetamide is O=C(CNc1ccc(F)cc1F)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluoroanilino)acetamide?
The InChIKey is RLLMCUMSGJVVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c17-11-2-3-13(12(18)6-11)19-8-16(21)20-7-10-1-4-14-15(5-10)23-9-22-14/h1-6,19H,7-9H2,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluoroanilino)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluoroanilino)acetamide has a molecular weight of 320.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-difluoroanilino)acetamide is sourced from PubChem (CID 108998869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).