(2R)-2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide

C18H18ClNO4 — CID 40742408

IUPAC(2R)-2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
SMILESCC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18ClNO4/c1-2-15(24-14-6-3-12(19)4-7-14)18(21)20-13-5-8-16-17(11-13)23-10-9-22-16/h3-8,11,15H,2,9-10H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeyUCBFPQAVGBYQHI-OAHLLOKOSA-N
MW347.80 g/mol
LogP3.91
Rot. Bonds5

About (2R)-2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide

(2R)-2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide (PubChem CID 40742408) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
PubChem CID40742408
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name(2R)-2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
SMILESCC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18ClNO4/c1-2-15(24-14-6-3-12(19)4-7-14)18(21)20-13-5-8-16-17(11-13)23-10-9-22-16/h3-8,11,15H,2,9-10H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeyUCBFPQAVGBYQHI-OAHLLOKOSA-N
XLogP3.91
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100545596
N-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide
CID 2932623
1-[[(2R)-2-(3-chlorophenoxy)butanoyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea
CID 27525747
(2S)-N-(4-bromo-3-chlorophenyl)-2-(4-chlorophenoxy)butanamide
CID 9173008
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)propanoate
CID 23995591
2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide
CID 53285318
2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide
CID 133211166
(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide
CID 673599
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorophenoxy)propanamide
CID 7894309
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;hydrochloride
CID 119261511
2-[(4-chlorophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 46561693
(2S)-2-(2,5-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 40793024

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide (CID 40742408) is (2R)-2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide is CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide?
The InChIKey is UCBFPQAVGBYQHI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-2-15(24-14-6-3-12(19)4-7-14)18(21)20-13-5-8-16-17(11-13)23-10-9-22-16/h3-8,11,15H,2,9-10H2,1H3,(H,20,21)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide?
(2R)-2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide has a molecular weight of 347.80 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide is sourced from PubChem (CID 40742408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).