N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide

C20H20ClF3N2O3 — CID 16546515

IUPACN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccccc1CCC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H20ClF3N2O3/c1-26(19(28)10-7-13-5-3-4-6-17(13)29-2)12-18(27)25-14-8-9-16(21)15(11-14)20(22,23)24/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,25,27)
InChIKeyDLVVPMCPNYVKTA-UHFFFAOYSA-N
MW428.84 g/mol
LogP4.40
Rot. Bonds7

About N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide

N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide (PubChem CID 16546515) has the molecular formula C20H20ClF3N2O3 and a molecular weight of 428.84 g/mol. Its IUPAC name is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide
PubChem CID16546515
Molecular FormulaC20H20ClF3N2O3
Molecular Weight428.84 g/mol
Exact Mass428.11
IUPAC NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccccc1CCC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H20ClF3N2O3/c1-26(19(28)10-7-13-5-3-4-6-17(13)29-2)12-18(27)25-14-8-9-16(21)15(11-14)20(22,23)24/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,25,27)
InChIKeyDLVVPMCPNYVKTA-UHFFFAOYSA-N
XLogP4.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.84
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide (CID 16546515) is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide is COc1ccccc1CCC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide?
The InChIKey is DLVVPMCPNYVKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N2O3/c1-26(19(28)10-7-13-5-3-4-6-17(13)29-2)12-18(27)25-14-8-9-16(21)15(11-14)20(22,23)24/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,25,27).
What are the key properties of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide?
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide has a molecular weight of 428.84 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 16546515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).