N-(1,3-benzodioxol-5-yl)-3-(2,6-dichloroanilino)propanamide

C16H14Cl2N2O3 — CID 109042278

IUPACN-(1,3-benzodioxol-5-yl)-3-(2,6-dichloroanilino)propanamide
SMILESO=C(CCNc1c(Cl)cccc1Cl)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H14Cl2N2O3/c17-11-2-1-3-12(18)16(11)19-7-6-15(21)20-10-4-5-13-14(8-10)23-9-22-13/h1-5,8,19H,6-7,9H2,(H,20,21)
InChIKeyRTXHANXDZVOUJU-UHFFFAOYSA-N
MW353.21 g/mol
LogP4.16
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-3-(2,6-dichloroanilino)propanamide

N-(1,3-benzodioxol-5-yl)-3-(2,6-dichloroanilino)propanamide (PubChem CID 109042278) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(2,6-dichloroanilino)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(2,6-dichloroanilino)propanamide
PubChem CID109042278
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(2,6-dichloroanilino)propanamide
SMILESO=C(CCNc1c(Cl)cccc1Cl)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H14Cl2N2O3/c17-11-2-1-3-12(18)16(11)19-7-6-15(21)20-10-4-5-13-14(8-10)23-9-22-13/h1-5,8,19H,6-7,9H2,(H,20,21)
InChIKeyRTXHANXDZVOUJU-UHFFFAOYSA-N
XLogP4.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-diethylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 109037137
N-(1,3-benzodioxol-5-yl)-3-(3,4-dimethylanilino)propanamide
CID 109035569
methyl 3-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]amino]-4-chlorobenzoate
CID 109041573
N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide
CID 110370646
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 38766641
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide
CID 109040174
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide
CID 110370617
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclohexanecarboxamide
CID 110370597
N-(1,3-benzodioxol-5-yl)-3-(benzylcarbamoylamino)propanamide
CID 35046151
N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide
CID 110468454
N-(1,3-benzodioxol-5-yl)-N'-(2,6-difluorophenyl)propanediamide
CID 108956702

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2,6-dichloroanilino)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2,6-dichloroanilino)propanamide (CID 109042278) is N-(1,3-benzodioxol-5-yl)-3-(2,6-dichloroanilino)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(2,6-dichloroanilino)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(2,6-dichloroanilino)propanamide is O=C(CCNc1c(Cl)cccc1Cl)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(2,6-dichloroanilino)propanamide?
The InChIKey is RTXHANXDZVOUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c17-11-2-1-3-12(18)16(11)19-7-6-15(21)20-10-4-5-13-14(8-10)23-9-22-13/h1-5,8,19H,6-7,9H2,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(2,6-dichloroanilino)propanamide?
N-(1,3-benzodioxol-5-yl)-3-(2,6-dichloroanilino)propanamide has a molecular weight of 353.21 g/mol, XLogP of 4.16, 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)-3-(2,6-dichloroanilino)propanamide is sourced from PubChem (CID 109042278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).