N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide

C18H18Cl3NO2 — CID 19029310

IUPACN-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide
SMILESCN(C(=O)CC(CCO)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18Cl3NO2/c1-22(15-5-3-14(19)4-6-15)18(24)11-13(8-9-23)12-2-7-16(20)17(21)10-12/h2-7,10,13,23H,8-9,11H2,1H3
InChIKeyTYGUADKBKCWIDM-UHFFFAOYSA-N
MW386.71 g/mol
LogP5.17
Rot. Bonds6

About N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide

N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide (PubChem CID 19029310) has the molecular formula C18H18Cl3NO2 and a molecular weight of 386.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide
PubChem CID19029310
Molecular FormulaC18H18Cl3NO2
Molecular Weight386.71 g/mol
Exact Mass385.04
IUPAC NameN-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide
SMILESCN(C(=O)CC(CCO)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18Cl3NO2/c1-22(15-5-3-14(19)4-6-15)18(24)11-13(8-9-23)12-2-7-16(20)17(21)10-12/h2-7,10,13,23H,8-9,11H2,1H3
InChIKeyTYGUADKBKCWIDM-UHFFFAOYSA-N
XLogP5.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.71
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide?
The IUPAC name of N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide (CID 19029310) is N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide is CN(C(=O)CC(CCO)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide?
The InChIKey is TYGUADKBKCWIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3NO2/c1-22(15-5-3-14(19)4-6-15)18(24)11-13(8-9-23)12-2-7-16(20)17(21)10-12/h2-7,10,13,23H,8-9,11H2,1H3.
What are the key properties of N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide?
N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide has a molecular weight of 386.71 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide is sourced from PubChem (CID 19029310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).