N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4,5-dimethoxybenzamide

C18H18ClNO5 — CID 51323720

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2ccc3c(c2)OCO3)cc(Cl)c1OC
InChIInChI=1S/C18H18ClNO5/c1-10(11-4-5-14-15(7-11)25-9-24-14)20-18(21)12-6-13(19)17(23-3)16(8-12)22-2/h4-8,10H,9H2,1-3H3,(H,20,21)
InChIKeyTWSZOYZDCWMCDQ-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.58
Rot. Bonds5

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4,5-dimethoxybenzamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4,5-dimethoxybenzamide (PubChem CID 51323720) has the molecular formula C18H18ClNO5 and a molecular weight of 363.80 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4,5-dimethoxybenzamide
PubChem CID51323720
Molecular FormulaC18H18ClNO5
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2ccc3c(c2)OCO3)cc(Cl)c1OC
InChIInChI=1S/C18H18ClNO5/c1-10(11-4-5-14-15(7-11)25-9-24-14)20-18(21)12-6-13(19)17(23-3)16(8-12)22-2/h4-8,10H,9H2,1-3H3,(H,20,21)
InChIKeyTWSZOYZDCWMCDQ-UHFFFAOYSA-N
XLogP3.58
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 94048936
N-[1-(3-bromophenyl)ethyl]-3-chloro-4,5-dimethoxybenzamide
CID 43059210
N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55360581
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 18143591
3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709358
3-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4,5-dimethoxybenzamide
CID 43058061
3,4-dichloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 55360682
N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17326429
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55483987
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 9418967
(2S)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]propanoic acid
CID 92922298
3,5-dichloro-4-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 9033034

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4,5-dimethoxybenzamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4,5-dimethoxybenzamide (CID 51323720) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4,5-dimethoxybenzamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4,5-dimethoxybenzamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4,5-dimethoxybenzamide is COc1cc(C(=O)NC(C)c2ccc3c(c2)OCO3)cc(Cl)c1OC.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4,5-dimethoxybenzamide?
The InChIKey is TWSZOYZDCWMCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5/c1-10(11-4-5-14-15(7-11)25-9-24-14)20-18(21)12-6-13(19)17(23-3)16(8-12)22-2/h4-8,10H,9H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4,5-dimethoxybenzamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4,5-dimethoxybenzamide has a molecular weight of 363.80 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4,5-dimethoxybenzamide is sourced from PubChem (CID 51323720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).