2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide

C19H19F3N2O5 — CID 9220589

IUPAC2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
SMILESCOc1cccc(C(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1OC
InChIInChI=1S/C19H19F3N2O5/c1-24(18(26)14-5-4-6-15(27-2)17(14)28-3)11-16(25)23-12-7-9-13(10-8-12)29-19(20,21)22/h4-10H,11H2,1-3H3,(H,23,25)
InChIKeyXDHGKWPNKYOMRM-UHFFFAOYSA-N
MW412.36 g/mol
LogP3.31
Rot. Bonds7

About 2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide

2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide (PubChem CID 9220589) has the molecular formula C19H19F3N2O5 and a molecular weight of 412.36 g/mol. Its IUPAC name is 2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
PubChem CID9220589
Molecular FormulaC19H19F3N2O5
Molecular Weight412.36 g/mol
Exact Mass412.12
IUPAC Name2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
SMILESCOc1cccc(C(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1OC
InChIInChI=1S/C19H19F3N2O5/c1-24(18(26)14-5-4-6-15(27-2)17(14)28-3)11-16(25)23-12-7-9-13(10-8-12)29-19(20,21)22/h4-10H,11H2,1-3H3,(H,23,25)
InChIKeyXDHGKWPNKYOMRM-UHFFFAOYSA-N
XLogP3.31
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 8781656
2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 24641310
3-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]propanamide
CID 9220530
N,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]furan-3-carboxamide
CID 9188659
N,2,5-trimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9220591
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366505
1-[(2,3-dimethoxyphenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55816924
4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 31619702
2-ethoxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2481404
2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7768109
2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 39122596
N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]acetamide
CID 8781648

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide (CID 9220589) is 2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide is COc1cccc(C(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide?
The InChIKey is XDHGKWPNKYOMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O5/c1-24(18(26)14-5-4-6-15(27-2)17(14)28-3)11-16(25)23-12-7-9-13(10-8-12)29-19(20,21)22/h4-10H,11H2,1-3H3,(H,23,25).
What are the key properties of 2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide?
2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide has a molecular weight of 412.36 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide is sourced from PubChem (CID 9220589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).