N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide

C17H17ClN2O3 — CID 46799438

IUPACN-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
SMILESCC(Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3/c1-11(17(21)20-13-4-2-12(18)3-5-13)19-14-6-7-15-16(10-14)23-9-8-22-15/h2-7,10-11,19H,8-9H2,1H3,(H,20,21)
InChIKeySEUNXDTUQODLRA-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.55
Rot. Bonds4

About N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide

N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide (PubChem CID 46799438) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
PubChem CID46799438
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
SMILESCC(Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3/c1-11(17(21)20-13-4-2-12(18)3-5-13)19-14-6-7-15-16(10-14)23-9-8-22-15/h2-7,10-11,19H,8-9H2,1H3,(H,20,21)
InChIKeySEUNXDTUQODLRA-UHFFFAOYSA-N
XLogP3.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.55
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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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide (CID 46799438) is N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide is CC(Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide?
The InChIKey is SEUNXDTUQODLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11(17(21)20-13-4-2-12(18)3-5-13)19-14-6-7-15-16(10-14)23-9-8-22-15/h2-7,10-11,19H,8-9H2,1H3,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide?
N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide has a molecular weight of 332.79 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide is sourced from PubChem (CID 46799438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).