3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide

C19H19ClF3NO2 — CID 55512219

IUPAC3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C19H19ClF3NO2/c1-26-17-8-4-14(12-16(17)20)5-9-18(25)24-11-10-13-2-6-15(7-3-13)19(21,22)23/h2-4,6-8,12H,5,9-11H2,1H3,(H,24,25)
InChIKeyCHGHGGGFUDKESA-UHFFFAOYSA-N
MW385.81 g/mol
LogP4.66
Rot. Bonds7

About 3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide

3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 55512219) has the molecular formula C19H19ClF3NO2 and a molecular weight of 385.81 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID55512219
Molecular FormulaC19H19ClF3NO2
Molecular Weight385.81 g/mol
Exact Mass385.11
IUPAC Name3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C19H19ClF3NO2/c1-26-17-8-4-14(12-16(17)20)5-9-18(25)24-11-10-13-2-6-15(7-3-13)19(21,22)23/h2-4,6-8,12H,5,9-11H2,1H3,(H,24,25)
InChIKeyCHGHGGGFUDKESA-UHFFFAOYSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103723354
N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 100541611
N-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide
CID 55974953
2-(5-acetyl-2-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 31146981
N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-oxopropanamide
CID 115175874
2-(2-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26732878
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
CID 19860206
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 37112241
methyl 3-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-hydroxypropanoate
CID 103957889
N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide
CID 45051439
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78768780
3-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55512022

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide (CID 55512219) is 3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide is COc1ccc(CCC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is CHGHGGGFUDKESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3NO2/c1-26-17-8-4-14(12-16(17)20)5-9-18(25)24-11-10-13-2-6-15(7-3-13)19(21,22)23/h2-4,6-8,12H,5,9-11H2,1H3,(H,24,25).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 385.81 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 55512219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).