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

C18H17F2N3O4 — CID 55868228

IUPACN-(1,3-benzodioxol-5-ylcarbamoyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide
SMILESCCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1
InChIInChI=1S/C18H17F2N3O4/c1-2-23(12-4-5-13(19)14(20)8-12)9-17(24)22-18(25)21-11-3-6-15-16(7-11)27-10-26-15/h3-8H,2,9-10H2,1H3,(H2,21,22,24,25)
InChIKeyCEAOUMDOSXECCU-UHFFFAOYSA-N
MW377.35 g/mol
LogP2.87
Rot. Bonds5

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

N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide (PubChem CID 55868228) has the molecular formula C18H17F2N3O4 and a molecular weight of 377.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylcarbamoyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide
PubChem CID55868228
Molecular FormulaC18H17F2N3O4
Molecular Weight377.35 g/mol
Exact Mass377.12
IUPAC NameN-(1,3-benzodioxol-5-ylcarbamoyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide
SMILESCCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1
InChIInChI=1S/C18H17F2N3O4/c1-2-23(12-4-5-13(19)14(20)8-12)9-17(24)22-18(25)21-11-3-6-15-16(7-11)27-10-26-15/h3-8H,2,9-10H2,1H3,(H2,21,22,24,25)
InChIKeyCEAOUMDOSXECCU-UHFFFAOYSA-N
XLogP2.87
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)urea
CID 6468432
N'-(1,3-benzodioxol-5-yl)-N-[4-(diethylamino)phenyl]oxamide
CID 108530599
N-(1,3-benzodioxol-5-yl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113147284
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
CID 24681096
3-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911809
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 18127481
N-(1,3-benzodioxol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108956695
1-(1,3-benzodioxol-5-yl)-3-(4-ethylphenyl)urea
CID 6466543
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[2-(4-chlorophenoxy)ethyl-methylamino]acetamide
CID 24506838
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 18094312
1-(1,3-benzodioxol-5-yl)-3-(5-chloro-2-fluorophenyl)urea
CID 46860085
2-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 26302531

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide (CID 55868228) is N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide is CCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide?
The InChIKey is CEAOUMDOSXECCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O4/c1-2-23(12-4-5-13(19)14(20)8-12)9-17(24)22-18(25)21-11-3-6-15-16(7-11)27-10-26-15/h3-8H,2,9-10H2,1H3,(H2,21,22,24,25).
What are the key properties of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide?
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide has a molecular weight of 377.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide is sourced from PubChem (CID 55868228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).