2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide

C34H31ClF3NO4 — CID 59581884

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide
SMILESCN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C34H31ClF3NO4/c1-33(2,43-29-17-11-25(12-18-29)31(40)24-9-15-27(35)16-10-24)32(41)39(3)22-21-30(23-7-5-4-6-8-23)42-28-19-13-26(14-20-28)34(36,37)38/h4-20,30H,21-22H2,1-3H3/t30-/m1/s1
InChIKeyAGXWYUUMUOIVGO-SSEXGKCCSA-N
MW610.07 g/mol
LogP8.42
Rot. Bonds11

About 2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide

2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide (PubChem CID 59581884) has the molecular formula C34H31ClF3NO4 and a molecular weight of 610.07 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide
PubChem CID59581884
Molecular FormulaC34H31ClF3NO4
Molecular Weight610.07 g/mol
Exact Mass609.19
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide
SMILESCN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C34H31ClF3NO4/c1-33(2,43-29-17-11-25(12-18-29)31(40)24-9-15-27(35)16-10-24)32(41)39(3)22-21-30(23-7-5-4-6-8-23)42-28-19-13-26(14-20-28)34(36,37)38/h4-20,30H,21-22H2,1-3H3/t30-/m1/s1
InChIKeyAGXWYUUMUOIVGO-SSEXGKCCSA-N
XLogP8.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.07
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide with MolForge

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Related Compounds

2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid
CID 22679172
S-[2-(dihydroxyamino)oxyethyl] N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamothioate
CID 89169808
tetrakis(1-[4-[2-hydroxy-3-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]propoxy]phenyl]ethanone);hydrate
CID 24848584
2-[[3-[4-(1,1-difluoroethyl)phenoxy]-3-phenylpropyl]-methylamino]acetic acid
CID 21301133
1-(3-chloro-1-phenylpropoxy)-4-(trifluoromethyl)benzene
CID 12851437
2-(3-benzoylphenyl)-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide
CID 42633596
(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
CID 3058750
2-[methyl-[3-phenyl-3-[3-[3-(trifluoromethyl)benzoyl]phenoxy]propyl]amino]acetic acid
CID 18677910
ethyl 2-[[3-(4-methylphenoxy)-3-phenylpropyl]-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetate
CID 59941162
1-[4-(ethylamino)phenoxy]-3-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]propan-2-ol
CID 24848799
2-[4-[(4-chlorophenyl)-difluoromethyl]phenoxy]-2-methylpropanoic acid;2-(dimethylamino)ethanol
CID 71494567
2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 154646124

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide (CID 59581884) is 2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide is CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide?
The InChIKey is AGXWYUUMUOIVGO-SSEXGKCCSA-N. The full InChI is InChI=1S/C34H31ClF3NO4/c1-33(2,43-29-17-11-25(12-18-29)31(40)24-9-15-27(35)16-10-24)32(41)39(3)22-21-30(23-7-5-4-6-8-23)42-28-19-13-26(14-20-28)34(36,37)38/h4-20,30H,21-22H2,1-3H3/t30-/m1/s1.
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide?
2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide has a molecular weight of 610.07 g/mol, XLogP of 8.42, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide is sourced from PubChem (CID 59581884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).