N-[4-[[1,4-dimethoxy-3-(trifluoromethyl)naphthalen-2-yl]methoxy]phenyl]acetamide

C22H20F3NO4 — CID 24807801

IUPACN-[4-[[1,4-dimethoxy-3-(trifluoromethyl)naphthalen-2-yl]methoxy]phenyl]acetamide
SMILESCOc1c(COc2ccc(NC(C)=O)cc2)c(C(F)(F)F)c(OC)c2ccccc12
InChIInChI=1S/C22H20F3NO4/c1-13(27)26-14-8-10-15(11-9-14)30-12-18-19(22(23,24)25)21(29-3)17-7-5-4-6-16(17)20(18)28-2/h4-11H,12H2,1-3H3,(H,26,27)
InChIKeySMQZBJMKEAAIAK-UHFFFAOYSA-N
MW419.40 g/mol
LogP5.41
Rot. Bonds6

About N-[4-[[1,4-dimethoxy-3-(trifluoromethyl)naphthalen-2-yl]methoxy]phenyl]acetamide

N-[4-[[1,4-dimethoxy-3-(trifluoromethyl)naphthalen-2-yl]methoxy]phenyl]acetamide (PubChem CID 24807801) has the molecular formula C22H20F3NO4 and a molecular weight of 419.40 g/mol. Its IUPAC name is N-[4-[[1,4-dimethoxy-3-(trifluoromethyl)naphthalen-2-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1,4-dimethoxy-3-(trifluoromethyl)naphthalen-2-yl]methoxy]phenyl]acetamide
PubChem CID24807801
Molecular FormulaC22H20F3NO4
Molecular Weight419.40 g/mol
Exact Mass419.13
IUPAC NameN-[4-[[1,4-dimethoxy-3-(trifluoromethyl)naphthalen-2-yl]methoxy]phenyl]acetamide
SMILESCOc1c(COc2ccc(NC(C)=O)cc2)c(C(F)(F)F)c(OC)c2ccccc12
InChIInChI=1S/C22H20F3NO4/c1-13(27)26-14-8-10-15(11-9-14)30-12-18-19(22(23,24)25)21(29-3)17-7-5-4-6-16(17)20(18)28-2/h4-11H,12H2,1-3H3,(H,26,27)
InChIKeySMQZBJMKEAAIAK-UHFFFAOYSA-N
XLogP5.41
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.40
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 835733
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CID 9514429
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CID 86294770
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CID 134133280
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CID 162677328
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CID 76308502
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CID 731214
CID 731214

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1,4-dimethoxy-3-(trifluoromethyl)naphthalen-2-yl]methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[[1,4-dimethoxy-3-(trifluoromethyl)naphthalen-2-yl]methoxy]phenyl]acetamide (CID 24807801) is N-[4-[[1,4-dimethoxy-3-(trifluoromethyl)naphthalen-2-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1,4-dimethoxy-3-(trifluoromethyl)naphthalen-2-yl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[[1,4-dimethoxy-3-(trifluoromethyl)naphthalen-2-yl]methoxy]phenyl]acetamide is COc1c(COc2ccc(NC(C)=O)cc2)c(C(F)(F)F)c(OC)c2ccccc12.
What is the InChIKey of N-[4-[[1,4-dimethoxy-3-(trifluoromethyl)naphthalen-2-yl]methoxy]phenyl]acetamide?
The InChIKey is SMQZBJMKEAAIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO4/c1-13(27)26-14-8-10-15(11-9-14)30-12-18-19(22(23,24)25)21(29-3)17-7-5-4-6-16(17)20(18)28-2/h4-11H,12H2,1-3H3,(H,26,27).
What are the key properties of N-[4-[[1,4-dimethoxy-3-(trifluoromethyl)naphthalen-2-yl]methoxy]phenyl]acetamide?
N-[4-[[1,4-dimethoxy-3-(trifluoromethyl)naphthalen-2-yl]methoxy]phenyl]acetamide has a molecular weight of 419.40 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1,4-dimethoxy-3-(trifluoromethyl)naphthalen-2-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 24807801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).