N-(1,3-benzodioxol-5-yl)-2-(4-cyclopropyl-3-fluoroanilino)acetamide

C18H17FN2O3 — CID 119047338

IUPACN-(1,3-benzodioxol-5-yl)-2-(4-cyclopropyl-3-fluoroanilino)acetamide
SMILESO=C(CNc1ccc(C2CC2)c(F)c1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H17FN2O3/c19-15-7-12(3-5-14(15)11-1-2-11)20-9-18(22)21-13-4-6-16-17(8-13)24-10-23-16/h3-8,11,20H,1-2,9-10H2,(H,21,22)
InChIKeyAJYHZLZCGNLXOR-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.48
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-(4-cyclopropyl-3-fluoroanilino)acetamide

N-(1,3-benzodioxol-5-yl)-2-(4-cyclopropyl-3-fluoroanilino)acetamide (PubChem CID 119047338) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(4-cyclopropyl-3-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(4-cyclopropyl-3-fluoroanilino)acetamide
PubChem CID119047338
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(4-cyclopropyl-3-fluoroanilino)acetamide
SMILESO=C(CNc1ccc(C2CC2)c(F)c1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H17FN2O3/c19-15-7-12(3-5-14(15)11-1-2-11)20-9-18(22)21-13-4-6-16-17(8-13)24-10-23-16/h3-8,11,20H,1-2,9-10H2,(H,21,22)
InChIKeyAJYHZLZCGNLXOR-UHFFFAOYSA-N
XLogP3.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide
CID 4806518
3-[[2-(4-cyclopropyl-3-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
CID 119047398
N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yloxyanilino)acetamide
CID 109009383
N-(1,3-benzodioxol-5-yl)-N'-(2,6-difluorophenyl)propanediamide
CID 108956702
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide
CID 9265362
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide
CID 26439030
N-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide
CID 109010719
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide
CID 37467922
N-(1,3-benzodioxol-5-yl)-3-(3,4-dimethylanilino)propanamide
CID 109035569
N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide
CID 86930980
N-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376473

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-cyclopropyl-3-fluoroanilino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-cyclopropyl-3-fluoroanilino)acetamide (CID 119047338) is N-(1,3-benzodioxol-5-yl)-2-(4-cyclopropyl-3-fluoroanilino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(4-cyclopropyl-3-fluoroanilino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(4-cyclopropyl-3-fluoroanilino)acetamide is O=C(CNc1ccc(C2CC2)c(F)c1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(4-cyclopropyl-3-fluoroanilino)acetamide?
The InChIKey is AJYHZLZCGNLXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-15-7-12(3-5-14(15)11-1-2-11)20-9-18(22)21-13-4-6-16-17(8-13)24-10-23-16/h3-8,11,20H,1-2,9-10H2,(H,21,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(4-cyclopropyl-3-fluoroanilino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(4-cyclopropyl-3-fluoroanilino)acetamide has a molecular weight of 328.34 g/mol, XLogP of 3.48, 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-yl)-2-(4-cyclopropyl-3-fluoroanilino)acetamide is sourced from PubChem (CID 119047338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).