3-chloro-5-methoxy-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-propoxybenzamide

C20H21ClF3NO4 — CID 60575096

IUPAC3-chloro-5-methoxy-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)cc1OC
InChIInChI=1S/C20H21ClF3NO4/c1-4-7-28-18-14(21)9-13(10-17(18)27-3)19(26)25-15-6-5-12(2)8-16(15)29-11-20(22,23)24/h5-6,8-10H,4,7,11H2,1-3H3,(H,25,26)
InChIKeyYTUXCKNDHQANRJ-UHFFFAOYSA-N
MW431.84 g/mol
LogP5.64
Rot. Bonds8

About 3-chloro-5-methoxy-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-propoxybenzamide

3-chloro-5-methoxy-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-propoxybenzamide (PubChem CID 60575096) has the molecular formula C20H21ClF3NO4 and a molecular weight of 431.84 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-propoxybenzamide
PubChem CID60575096
Molecular FormulaC20H21ClF3NO4
Molecular Weight431.84 g/mol
Exact Mass431.11
IUPAC Name3-chloro-5-methoxy-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)cc1OC
InChIInChI=1S/C20H21ClF3NO4/c1-4-7-28-18-14(21)9-13(10-17(18)27-3)19(26)25-15-6-5-12(2)8-16(15)29-11-20(22,23)24/h5-6,8-10H,4,7,11H2,1-3H3,(H,25,26)
InChIKeyYTUXCKNDHQANRJ-UHFFFAOYSA-N
XLogP5.64
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.84
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(4-chloro-2-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 26114663
3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 60575314
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200
N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide
CID 120568311
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 24590783
2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
CID 87023490
3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26877166
3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide
CID 26414165
4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 60575123
3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 124506712
4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide
CID 42475729
3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide
CID 9096742

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-methoxy-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-propoxybenzamide (CID 60575096) is 3-chloro-5-methoxy-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)cc1OC.
What is the InChIKey of 3-chloro-5-methoxy-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-propoxybenzamide?
The InChIKey is YTUXCKNDHQANRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3NO4/c1-4-7-28-18-14(21)9-13(10-17(18)27-3)19(26)25-15-6-5-12(2)8-16(15)29-11-20(22,23)24/h5-6,8-10H,4,7,11H2,1-3H3,(H,25,26).
What are the key properties of 3-chloro-5-methoxy-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-propoxybenzamide?
3-chloro-5-methoxy-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-propoxybenzamide has a molecular weight of 431.84 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 60575096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).