4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide

C20H20ClF3N2O5 — CID 24590783

IUPAC4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1
InChIInChI=1S/C20H20ClF3N2O5/c1-3-6-30-15-5-4-12(20(22,23)24)9-14(15)26-19(28)11-7-13(21)18(16(8-11)29-2)31-10-17(25)27/h4-5,7-9H,3,6,10H2,1-2H3,(H2,25,27)(H,26,28)
InChIKeyTYVWPSVWPGIPJX-UHFFFAOYSA-N
MW460.84 g/mol
LogP4.27
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide

4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 24590783) has the molecular formula C20H20ClF3N2O5 and a molecular weight of 460.84 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
PubChem CID24590783
Molecular FormulaC20H20ClF3N2O5
Molecular Weight460.84 g/mol
Exact Mass460.10
IUPAC Name4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1
InChIInChI=1S/C20H20ClF3N2O5/c1-3-6-30-15-5-4-12(20(22,23)24)9-14(15)26-19(28)11-7-13(21)18(16(8-11)29-2)31-10-17(25)27/h4-5,7-9H,3,6,10H2,1-2H3,(H2,25,27)(H,26,28)
InChIKeyTYVWPSVWPGIPJX-UHFFFAOYSA-N
XLogP4.27
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.84
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-methoxy-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-propoxybenzamide
CID 60575096
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55492038
4-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 26175480
4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide
CID 42475729
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 17470265
butyl 4-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]benzoate
CID 24590767
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 55893304
4-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26175468
3,5-dimethoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 2671998
N-[2-propoxy-5-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 17398504
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
CID 55502745

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide (CID 24590783) is 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is TYVWPSVWPGIPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N2O5/c1-3-6-30-15-5-4-12(20(22,23)24)9-14(15)26-19(28)11-7-13(21)18(16(8-11)29-2)31-10-17(25)27/h4-5,7-9H,3,6,10H2,1-2H3,(H2,25,27)(H,26,28).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide?
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 460.84 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 24590783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).