N-[(1R)-1-(4-chloro-3-hydroxyphenyl)-2-hydroxyethyl]-2-(3,4-dichlorophenyl)-2-methylpentanamide

C20H22Cl3NO3 — CID 143775970

IUPACN-[(1R)-1-(4-chloro-3-hydroxyphenyl)-2-hydroxyethyl]-2-(3,4-dichlorophenyl)-2-methylpentanamide
SMILESCCCC(C)(C(=O)N[C@@H](CO)c1ccc(Cl)c(O)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H22Cl3NO3/c1-3-8-20(2,13-5-7-14(21)16(23)10-13)19(27)24-17(11-25)12-4-6-15(22)18(26)9-12/h4-7,9-10,17,25-26H,3,8,11H2,1-2H3,(H,24,27)/t17-,20?/m0/s1
InChIKeyMHQKPDXCJVYRAR-DIMJTDRSSA-N
MW430.76 g/mol
LogP5.26
Rot. Bonds7

About N-[(1R)-1-(4-chloro-3-hydroxyphenyl)-2-hydroxyethyl]-2-(3,4-dichlorophenyl)-2-methylpentanamide

N-[(1R)-1-(4-chloro-3-hydroxyphenyl)-2-hydroxyethyl]-2-(3,4-dichlorophenyl)-2-methylpentanamide (PubChem CID 143775970) has the molecular formula C20H22Cl3NO3 and a molecular weight of 430.76 g/mol. Its IUPAC name is N-[(1R)-1-(4-chloro-3-hydroxyphenyl)-2-hydroxyethyl]-2-(3,4-dichlorophenyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chloro-3-hydroxyphenyl)-2-hydroxyethyl]-2-(3,4-dichlorophenyl)-2-methylpentanamide
PubChem CID143775970
Molecular FormulaC20H22Cl3NO3
Molecular Weight430.76 g/mol
Exact Mass429.07
IUPAC NameN-[(1R)-1-(4-chloro-3-hydroxyphenyl)-2-hydroxyethyl]-2-(3,4-dichlorophenyl)-2-methylpentanamide
SMILESCCCC(C)(C(=O)N[C@@H](CO)c1ccc(Cl)c(O)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H22Cl3NO3/c1-3-8-20(2,13-5-7-14(21)16(23)10-13)19(27)24-17(11-25)12-4-6-15(22)18(26)9-12/h4-7,9-10,17,25-26H,3,8,11H2,1-2H3,(H,24,27)/t17-,20?/m0/s1
InChIKeyMHQKPDXCJVYRAR-DIMJTDRSSA-N
XLogP5.26
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.76
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chloro-3-hydroxyphenyl)-2-hydroxyethyl]-2-(3,4-dichlorophenyl)-2-methylpentanamide?
The IUPAC name of N-[(1R)-1-(4-chloro-3-hydroxyphenyl)-2-hydroxyethyl]-2-(3,4-dichlorophenyl)-2-methylpentanamide (CID 143775970) is N-[(1R)-1-(4-chloro-3-hydroxyphenyl)-2-hydroxyethyl]-2-(3,4-dichlorophenyl)-2-methylpentanamide.
What is the SMILES notation for N-[(1R)-1-(4-chloro-3-hydroxyphenyl)-2-hydroxyethyl]-2-(3,4-dichlorophenyl)-2-methylpentanamide?
The canonical SMILES for N-[(1R)-1-(4-chloro-3-hydroxyphenyl)-2-hydroxyethyl]-2-(3,4-dichlorophenyl)-2-methylpentanamide is CCCC(C)(C(=O)N[C@@H](CO)c1ccc(Cl)c(O)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(1R)-1-(4-chloro-3-hydroxyphenyl)-2-hydroxyethyl]-2-(3,4-dichlorophenyl)-2-methylpentanamide?
The InChIKey is MHQKPDXCJVYRAR-DIMJTDRSSA-N. The full InChI is InChI=1S/C20H22Cl3NO3/c1-3-8-20(2,13-5-7-14(21)16(23)10-13)19(27)24-17(11-25)12-4-6-15(22)18(26)9-12/h4-7,9-10,17,25-26H,3,8,11H2,1-2H3,(H,24,27)/t17-,20?/m0/s1.
What are the key properties of N-[(1R)-1-(4-chloro-3-hydroxyphenyl)-2-hydroxyethyl]-2-(3,4-dichlorophenyl)-2-methylpentanamide?
N-[(1R)-1-(4-chloro-3-hydroxyphenyl)-2-hydroxyethyl]-2-(3,4-dichlorophenyl)-2-methylpentanamide has a molecular weight of 430.76 g/mol, XLogP of 5.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chloro-3-hydroxyphenyl)-2-hydroxyethyl]-2-(3,4-dichlorophenyl)-2-methylpentanamide is sourced from PubChem (CID 143775970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).