N-(4-chloro-2,5-dimethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide

C20H22ClNO5 — CID 110344498

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
SMILESCOc1cc(NC(=O)CCCc2ccc3c(c2)OCCO3)c(OC)cc1Cl
InChIInChI=1S/C20H22ClNO5/c1-24-17-12-15(18(25-2)11-14(17)21)22-20(23)5-3-4-13-6-7-16-19(10-13)27-9-8-26-16/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,22,23)
InChIKeyYDXYPVRSCFINPG-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.09
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide

N-(4-chloro-2,5-dimethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide (PubChem CID 110344498) has the molecular formula C20H22ClNO5 and a molecular weight of 391.85 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
PubChem CID110344498
Molecular FormulaC20H22ClNO5
Molecular Weight391.85 g/mol
Exact Mass391.12
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
SMILESCOc1cc(NC(=O)CCCc2ccc3c(c2)OCCO3)c(OC)cc1Cl
InChIInChI=1S/C20H22ClNO5/c1-24-17-12-15(18(25-2)11-14(17)21)22-20(23)5-3-4-13-6-7-16-19(10-13)27-9-8-26-16/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,22,23)
InChIKeyYDXYPVRSCFINPG-UHFFFAOYSA-N
XLogP4.09
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 17423969
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 109042359
2-[[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 24566039
N-(4-chloro-2,5-dimethoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 17427560
N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide
CID 54924434
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chloro-2,5-dimethoxyphenyl)thiourea
CID 1213399
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 24555019
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxyphenyl)propanamide
CID 35425039
N-(5-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17492812
7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride
CID 119683375
N-[3-chloro-2-(dimethylamino)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 112825989
2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 108998800

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide (CID 110344498) is N-(4-chloro-2,5-dimethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide is COc1cc(NC(=O)CCCc2ccc3c(c2)OCCO3)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide?
The InChIKey is YDXYPVRSCFINPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO5/c1-24-17-12-15(18(25-2)11-14(17)21)22-20(23)5-3-4-13-6-7-16-19(10-13)27-9-8-26-16/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,22,23).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide has a molecular weight of 391.85 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide is sourced from PubChem (CID 110344498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).