N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-3-methoxybutanamide

C23H22Cl2F6N2O3 — CID 71466219

IUPACN-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-3-methoxybutanamide
SMILESCOC(C)CC(=O)NCc1ccc(N2COC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F
InChIInChI=1S/C23H22Cl2F6N2O3/c1-13(35-2)5-20(34)32-10-14-3-4-18(9-19(14)22(26,27)28)33-11-21(36-12-33,23(29,30)31)15-6-16(24)8-17(25)7-15/h3-4,6-9,13H,5,10-12H2,1-2H3,(H,32,34)
InChIKeyMYEAHLVVODQUIF-UHFFFAOYSA-N
MW559.33 g/mol
LogP6.31
Rot. Bonds7

About N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-3-methoxybutanamide

N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-3-methoxybutanamide (PubChem CID 71466219) has the molecular formula C23H22Cl2F6N2O3 and a molecular weight of 559.33 g/mol. Its IUPAC name is N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-3-methoxybutanamide.

Molecular Properties

Compound NameN-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-3-methoxybutanamide
PubChem CID71466219
Molecular FormulaC23H22Cl2F6N2O3
Molecular Weight559.33 g/mol
Exact Mass558.09
IUPAC NameN-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-3-methoxybutanamide
SMILESCOC(C)CC(=O)NCc1ccc(N2COC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F
InChIInChI=1S/C23H22Cl2F6N2O3/c1-13(35-2)5-20(34)32-10-14-3-4-18(9-19(14)22(26,27)28)33-11-21(36-12-33,23(29,30)31)15-6-16(24)8-17(25)7-15/h3-4,6-9,13H,5,10-12H2,1-2H3,(H,32,34)
InChIKeyMYEAHLVVODQUIF-UHFFFAOYSA-N
XLogP6.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.33
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-3-methoxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[5-(3,5-dichlorophenyl)-2-oxo-5-(trifluoromethyl)oxathiazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 71466289
N-[[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 87158529
(3R)-N-[[4-[[(2S)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropyl]amino]-2-(trifluoromethyl)phenyl]methyl]-3-methoxybutanamide
CID 125497840
N-[[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]propanamide
CID 25182822
(3S)-N-[[4-[[(2R)-2-[3,5-bis(trifluoromethyl)phenyl]-3,3,3-trifluoro-2-hydroxypropyl]amino]-2-chlorophenyl]methyl]-3-methoxybutanamide
CID 125498443
2-chloro-N-[[2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]methyl]acetamide
CID 45376023
N-[[2-chloro-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]phenyl]methyl]-2-methylsulfanylacetamide
CID 71511848
3-amino-N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]butanamide
CID 120873823
3-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119768894
2-methyl-1-(2-methylpropyl)-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine
CID 111180323
butyl-[[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]methyl]carbamic acid
CID 174738871
2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119767143

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-3-methoxybutanamide?
The IUPAC name of N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-3-methoxybutanamide (CID 71466219) is N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-3-methoxybutanamide.
What is the SMILES notation for N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-3-methoxybutanamide?
The canonical SMILES for N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-3-methoxybutanamide is COC(C)CC(=O)NCc1ccc(N2COC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F.
What is the InChIKey of N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-3-methoxybutanamide?
The InChIKey is MYEAHLVVODQUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2F6N2O3/c1-13(35-2)5-20(34)32-10-14-3-4-18(9-19(14)22(26,27)28)33-11-21(36-12-33,23(29,30)31)15-6-16(24)8-17(25)7-15/h3-4,6-9,13H,5,10-12H2,1-2H3,(H,32,34).
What are the key properties of N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-3-methoxybutanamide?
N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-3-methoxybutanamide has a molecular weight of 559.33 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methyl]-3-methoxybutanamide is sourced from PubChem (CID 71466219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).