N-[3,5-bis(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide

C20H17Cl2F6NO2 — CID 19029367

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide
SMILESCN(C(=O)CC(CCO)c1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H17Cl2F6NO2/c1-29(15-9-13(19(23,24)25)8-14(10-15)20(26,27)28)18(31)7-12(4-5-30)11-2-3-16(21)17(22)6-11/h2-3,6,8-10,12,30H,4-5,7H2,1H3
InChIKeyJAUMBZHEQKNMBD-UHFFFAOYSA-N
MW488.26 g/mol
LogP6.55
Rot. Bonds6

About N-[3,5-bis(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide

N-[3,5-bis(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide (PubChem CID 19029367) has the molecular formula C20H17Cl2F6NO2 and a molecular weight of 488.26 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide
PubChem CID19029367
Molecular FormulaC20H17Cl2F6NO2
Molecular Weight488.26 g/mol
Exact Mass487.05
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide
SMILESCN(C(=O)CC(CCO)c1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H17Cl2F6NO2/c1-29(15-9-13(19(23,24)25)8-14(10-15)20(26,27)28)18(31)7-12(4-5-30)11-2-3-16(21)17(22)6-11/h2-3,6,8-10,12,30H,4-5,7H2,1H3
InChIKeyJAUMBZHEQKNMBD-UHFFFAOYSA-N
XLogP6.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.26
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide (CID 19029367) is N-[3,5-bis(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide is CN(C(=O)CC(CCO)c1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide?
The InChIKey is JAUMBZHEQKNMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2F6NO2/c1-29(15-9-13(19(23,24)25)8-14(10-15)20(26,27)28)18(31)7-12(4-5-30)11-2-3-16(21)17(22)6-11/h2-3,6,8-10,12,30H,4-5,7H2,1H3.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide?
N-[3,5-bis(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide has a molecular weight of 488.26 g/mol, XLogP of 6.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide is sourced from PubChem (CID 19029367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).