3-[3-chloro-4-(1-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide

C20H21ClF3NO2 — CID 69343095

IUPAC3-[3-chloro-4-(1-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCC(OC)c1ccc(CC(C(N)=O)c2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C20H21ClF3NO2/c1-3-18(27-2)15-8-7-12(10-17(15)21)9-16(19(25)26)13-5-4-6-14(11-13)20(22,23)24/h4-8,10-11,16,18H,3,9H2,1-2H3,(H2,25,26)
InChIKeyPLYWSTFBOWFGOZ-UHFFFAOYSA-N
MW399.84 g/mol
LogP5.27
Rot. Bonds7

About 3-[3-chloro-4-(1-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide

3-[3-chloro-4-(1-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 69343095) has the molecular formula C20H21ClF3NO2 and a molecular weight of 399.84 g/mol. Its IUPAC name is 3-[3-chloro-4-(1-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[3-chloro-4-(1-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID69343095
Molecular FormulaC20H21ClF3NO2
Molecular Weight399.84 g/mol
Exact Mass399.12
IUPAC Name3-[3-chloro-4-(1-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCC(OC)c1ccc(CC(C(N)=O)c2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C20H21ClF3NO2/c1-3-18(27-2)15-8-7-12(10-17(15)21)9-16(19(25)26)13-5-4-6-14(11-13)20(22,23)24/h4-8,10-11,16,18H,3,9H2,1-2H3,(H2,25,26)
InChIKeyPLYWSTFBOWFGOZ-UHFFFAOYSA-N
XLogP5.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.84
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-Chloro-3-(trifluoromethyl)phenyl]-6-ethoxycyclohexa-2,4-diene-1-carboxamide
CID 67529180
3-[4-(3-Chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide
CID 68869455
3-[4-(1-Methoxycyclopropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 69342111
N-[[3-chloro-4-(2-methoxypropan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 69343094
3-[4-(1-Methoxycyclobutyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 69343347
3-[3-Chloro-4-(2-methoxypropan-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 69513560
3-[4-(3-Methoxypentan-3-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 69513573
3-[4-(2-Methoxypropan-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 69513836
2-[3-Chloro-5-methyl-2-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide
CID 178019183
6-[4-(4-chlorophenyl)phenyl]-N-hydroxy-6-methoxyhexanamide
CID 9968148
3-[3-Chloro-4-(2-methoxypropan-2-yl)phenyl]-2-(3,4-dichlorophenyl)propanamide
CID 69513854
6-[4-(4-Chlorophenyl)phenyl]-6-methoxyhexanamide
CID 142170629

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-(1-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[3-chloro-4-(1-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide (CID 69343095) is 3-[3-chloro-4-(1-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[3-chloro-4-(1-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[3-chloro-4-(1-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide is CCC(OC)c1ccc(CC(C(N)=O)c2cccc(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of 3-[3-chloro-4-(1-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is PLYWSTFBOWFGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3NO2/c1-3-18(27-2)15-8-7-12(10-17(15)21)9-16(19(25)26)13-5-4-6-14(11-13)20(22,23)24/h4-8,10-11,16,18H,3,9H2,1-2H3,(H2,25,26).
What are the key properties of 3-[3-chloro-4-(1-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
3-[3-chloro-4-(1-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 399.84 g/mol, XLogP of 5.27, 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-(1-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 69343095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).