3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide

C18H18ClNO5 — CID 17423969

IUPAC3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCc2ccc3c(c2)OCO3)c(OC)cc1Cl
InChIInChI=1S/C18H18ClNO5/c1-22-15-9-13(16(23-2)8-12(15)19)20-18(21)6-4-11-3-5-14-17(7-11)25-10-24-14/h3,5,7-9H,4,6,10H2,1-2H3,(H,20,21)
InChIKeyFBBQHVKCEWPRIE-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.66
Rot. Bonds6

About 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide

3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide (PubChem CID 17423969) has the molecular formula C18H18ClNO5 and a molecular weight of 363.80 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
PubChem CID17423969
Molecular FormulaC18H18ClNO5
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCc2ccc3c(c2)OCO3)c(OC)cc1Cl
InChIInChI=1S/C18H18ClNO5/c1-22-15-9-13(16(23-2)8-12(15)19)20-18(21)6-4-11-3-5-14-17(7-11)25-10-24-14/h3,5,7-9H,4,6,10H2,1-2H3,(H,20,21)
InChIKeyFBBQHVKCEWPRIE-UHFFFAOYSA-N
XLogP3.66
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
CID 110344498
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chloro-2,5-dimethoxyphenyl)thiourea
CID 1213399
2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 108998800
1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2,4-dimethoxyphenyl)-1-methylurea
CID 55695183
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxyphenyl)propanamide
CID 35425039
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-chloro-2-methoxy-5-methylphenyl)urea
CID 113217424
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 109042359
N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27830039
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 2640900
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 4799937
3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
CID 17496748
2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 108998748

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide (CID 17423969) is 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide is COc1cc(NC(=O)CCc2ccc3c(c2)OCO3)c(OC)cc1Cl.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?
The InChIKey is FBBQHVKCEWPRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5/c1-22-15-9-13(16(23-2)8-12(15)19)20-18(21)6-4-11-3-5-14-17(7-11)25-10-24-14/h3,5,7-9H,4,6,10H2,1-2H3,(H,20,21).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?
3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide has a molecular weight of 363.80 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 17423969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).