3-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4,5-dimethoxybenzamide

C20H20ClF3N2O4 — CID 43068667

IUPAC3-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4,5-dimethoxybenzamide
SMILESCCN(Cc1cccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)c1)C(=O)C(F)(F)F
InChIInChI=1S/C20H20ClF3N2O4/c1-4-26(19(28)20(22,23)24)11-12-6-5-7-14(8-12)25-18(27)13-9-15(21)17(30-3)16(10-13)29-2/h5-10H,4,11H2,1-3H3,(H,25,27)
InChIKeyPQLPISQFTPGVRJ-UHFFFAOYSA-N
MW444.84 g/mol
LogP4.52
Rot. Bonds7

About 3-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4,5-dimethoxybenzamide

3-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4,5-dimethoxybenzamide (PubChem CID 43068667) has the molecular formula C20H20ClF3N2O4 and a molecular weight of 444.84 g/mol. Its IUPAC name is 3-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4,5-dimethoxybenzamide
PubChem CID43068667
Molecular FormulaC20H20ClF3N2O4
Molecular Weight444.84 g/mol
Exact Mass444.11
IUPAC Name3-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4,5-dimethoxybenzamide
SMILESCCN(Cc1cccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)c1)C(=O)C(F)(F)F
InChIInChI=1S/C20H20ClF3N2O4/c1-4-26(19(28)20(22,23)24)11-12-6-5-7-14(8-12)25-18(27)13-9-15(21)17(30-3)16(10-13)29-2/h5-10H,4,11H2,1-3H3,(H,25,27)
InChIKeyPQLPISQFTPGVRJ-UHFFFAOYSA-N
XLogP4.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.84
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide
CID 26252009
N-[[3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide
CID 43068641
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide
CID 43068696
3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide
CID 3543943
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-fluoro-4-methoxybenzamide
CID 55671374
1-[(2-chlorophenyl)methyl]-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-oxopyridine-3-carboxamide
CID 112822360
2-(2,3-dichlorophenoxy)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
CID 60557697
5-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55671766
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-5-nitrothiophene-3-carboxamide
CID 47047150
3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide
CID 9413012
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 51121198
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4,5-dimethoxybenzamide?
The IUPAC name of 3-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4,5-dimethoxybenzamide (CID 43068667) is 3-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4,5-dimethoxybenzamide.
What is the SMILES notation for 3-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4,5-dimethoxybenzamide?
The canonical SMILES for 3-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4,5-dimethoxybenzamide is CCN(Cc1cccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)c1)C(=O)C(F)(F)F.
What is the InChIKey of 3-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4,5-dimethoxybenzamide?
The InChIKey is PQLPISQFTPGVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N2O4/c1-4-26(19(28)20(22,23)24)11-12-6-5-7-14(8-12)25-18(27)13-9-15(21)17(30-3)16(10-13)29-2/h5-10H,4,11H2,1-3H3,(H,25,27).
What are the key properties of 3-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4,5-dimethoxybenzamide?
3-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4,5-dimethoxybenzamide has a molecular weight of 444.84 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4,5-dimethoxybenzamide is sourced from PubChem (CID 43068667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).