4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide

C19H21F2NO5 — CID 9246064

IUPAC4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(OC(F)F)c(OC)c2)cc1OC
InChIInChI=1S/C19H21F2NO5/c1-24-14-6-4-12(10-16(14)25-2)8-9-22-18(23)13-5-7-15(27-19(20)21)17(11-13)26-3/h4-7,10-11,19H,8-9H2,1-3H3,(H,22,23)
InChIKeyBCFDLSBHLQJJJV-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.29
Rot. Bonds9

About 4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide

4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide (PubChem CID 9246064) has the molecular formula C19H21F2NO5 and a molecular weight of 381.38 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
PubChem CID9246064
Molecular FormulaC19H21F2NO5
Molecular Weight381.38 g/mol
Exact Mass381.14
IUPAC Name4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(OC(F)F)c(OC)c2)cc1OC
InChIInChI=1S/C19H21F2NO5/c1-24-14-6-4-12(10-16(14)25-2)8-9-22-18(23)13-5-7-15(27-19(20)21)17(11-13)26-3/h4-7,10-11,19H,8-9H2,1-3H3,(H,22,23)
InChIKeyBCFDLSBHLQJJJV-UHFFFAOYSA-N
XLogP3.29
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
4-bromo-N-[3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxopropyl]benzamide
CID 26443729
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217161
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide
CID 9482367
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9482509
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-methylbenzamide
CID 27883593
2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide
CID 17480805
N-[2-(cyclohexen-1-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 18108470

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide (CID 9246064) is 4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide is COc1ccc(CCNC(=O)c2ccc(OC(F)F)c(OC)c2)cc1OC.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide?
The InChIKey is BCFDLSBHLQJJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO5/c1-24-14-6-4-12(10-16(14)25-2)8-9-22-18(23)13-5-7-15(27-19(20)21)17(11-13)26-3/h4-7,10-11,19H,8-9H2,1-3H3,(H,22,23).
What are the key properties of 4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide?
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide has a molecular weight of 381.38 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 9246064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).