N-[(3,5-dichlorophenyl)methyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide

C27H30Cl2N2O4 — CID 11168296

IUPACN-[(3,5-dichlorophenyl)methyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide
SMILESC[C@H](Cc1cccc(CC(=O)NCc2cc(Cl)cc(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(CO)c1
InChIInChI=1S/C27H30Cl2N2O4/c1-17(30-15-26(34)21-5-6-25(33)22(12-21)16-32)7-18-3-2-4-19(8-18)11-27(35)31-14-20-9-23(28)13-24(29)10-20/h2-6,8-10,12-13,17,26,30,32-34H,7,11,14-16H2,1H3,(H,31,35)/t17-,26+/m1/s1
InChIKeyRQMJXRIKISIBQH-QUGAMOGWSA-N
MW517.45 g/mol
LogP4.30
Rot. Bonds11

About N-[(3,5-dichlorophenyl)methyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide

N-[(3,5-dichlorophenyl)methyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide (PubChem CID 11168296) has the molecular formula C27H30Cl2N2O4 and a molecular weight of 517.45 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide
PubChem CID11168296
Molecular FormulaC27H30Cl2N2O4
Molecular Weight517.45 g/mol
Exact Mass516.16
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide
SMILESC[C@H](Cc1cccc(CC(=O)NCc2cc(Cl)cc(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(CO)c1
InChIInChI=1S/C27H30Cl2N2O4/c1-17(30-15-26(34)21-5-6-25(33)22(12-21)16-32)7-18-3-2-4-19(8-18)11-27(35)31-14-20-9-23(28)13-24(29)10-20/h2-6,8-10,12-13,17,26,30,32-34H,7,11,14-16H2,1H3,(H,31,35)/t17-,26+/m1/s1
InChIKeyRQMJXRIKISIBQH-QUGAMOGWSA-N
XLogP4.30
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.45
LogP ≤ 54.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze N-[(3,5-dichlorophenyl)methyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide (CID 11168296) is N-[(3,5-dichlorophenyl)methyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide is C[C@H](Cc1cccc(CC(=O)NCc2cc(Cl)cc(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(CO)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide?
The InChIKey is RQMJXRIKISIBQH-QUGAMOGWSA-N. The full InChI is InChI=1S/C27H30Cl2N2O4/c1-17(30-15-26(34)21-5-6-25(33)22(12-21)16-32)7-18-3-2-4-19(8-18)11-27(35)31-14-20-9-23(28)13-24(29)10-20/h2-6,8-10,12-13,17,26,30,32-34H,7,11,14-16H2,1H3,(H,31,35)/t17-,26+/m1/s1.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide?
N-[(3,5-dichlorophenyl)methyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide has a molecular weight of 517.45 g/mol, XLogP of 4.30, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide is sourced from PubChem (CID 11168296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).