N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide

C20H23F2NO6 — CID 9482367

IUPACN-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide
SMILESCOc1cc(CCNC(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(F)F
InChIInChI=1S/C20H23F2NO6/c1-25-15-8-6-13(17(27-3)18(15)28-4)19(24)23-10-9-12-5-7-14(29-20(21)22)16(11-12)26-2/h5-8,11,20H,9-10H2,1-4H3,(H,23,24)
InChIKeyJFEANWXPIOIKPY-UHFFFAOYSA-N
MW411.40 g/mol
LogP3.29
Rot. Bonds10

About N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide

N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide (PubChem CID 9482367) has the molecular formula C20H23F2NO6 and a molecular weight of 411.40 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide
PubChem CID9482367
Molecular FormulaC20H23F2NO6
Molecular Weight411.40 g/mol
Exact Mass411.15
IUPAC NameN-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide
SMILESCOc1cc(CCNC(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(F)F
InChIInChI=1S/C20H23F2NO6/c1-25-15-8-6-13(17(27-3)18(15)28-4)19(24)23-10-9-12-5-7-14(29-20(21)22)16(11-12)26-2/h5-8,11,20H,9-10H2,1-4H3,(H,23,24)
InChIKeyJFEANWXPIOIKPY-UHFFFAOYSA-N
XLogP3.29
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-methylbenzamide
CID 27883593
2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide
CID 17480805
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-fluoro-2-methylbenzamide
CID 60618472
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2,3,4-trimethoxybenzamide
CID 60536373
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 8528927
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-4-(methoxymethyl)benzamide
CID 9482427
N-[3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8528959
1-amino-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]cyclopropane-1-carboxamide
CID 65464069
5-chloro-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-nitrobenzamide
CID 8528872
N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 31552261
[2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2,4-difluorobenzoate
CID 9200274

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide (CID 9482367) is N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide is COc1cc(CCNC(=O)c2ccc(OC)c(OC)c2OC)ccc1OC(F)F.
What is the InChIKey of N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide?
The InChIKey is JFEANWXPIOIKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO6/c1-25-15-8-6-13(17(27-3)18(15)28-4)19(24)23-10-9-12-5-7-14(29-20(21)22)16(11-12)26-2/h5-8,11,20H,9-10H2,1-4H3,(H,23,24).
What are the key properties of N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide?
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide has a molecular weight of 411.40 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 9482367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).