N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2,4-dichlorobenzamide

C20H22Cl2N2O4 — CID 129206716

IUPACN-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2,4-dichlorobenzamide
SMILESCCO[C@H](CNC(=O)c1ccc(Cl)cc1Cl)[C@@H](O)CNC(=O)c1ccccc1
InChIInChI=1S/C20H22Cl2N2O4/c1-2-28-18(12-24-20(27)15-9-8-14(21)10-16(15)22)17(25)11-23-19(26)13-6-4-3-5-7-13/h3-10,17-18,25H,2,11-12H2,1H3,(H,23,26)(H,24,27)/t17-,18+/m0/s1
InChIKeyJFSSOZPSNBPBFG-ZWKOTPCHSA-N
MW425.31 g/mol
LogP2.92
Rot. Bonds9

About N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2,4-dichlorobenzamide

N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2,4-dichlorobenzamide (PubChem CID 129206716) has the molecular formula C20H22Cl2N2O4 and a molecular weight of 425.31 g/mol. Its IUPAC name is N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2,4-dichlorobenzamide
PubChem CID129206716
Molecular FormulaC20H22Cl2N2O4
Molecular Weight425.31 g/mol
Exact Mass424.10
IUPAC NameN-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2,4-dichlorobenzamide
SMILESCCO[C@H](CNC(=O)c1ccc(Cl)cc1Cl)[C@@H](O)CNC(=O)c1ccccc1
InChIInChI=1S/C20H22Cl2N2O4/c1-2-28-18(12-24-20(27)15-9-8-14(21)10-16(15)22)17(25)11-23-19(26)13-6-4-3-5-7-13/h3-10,17-18,25H,2,11-12H2,1H3,(H,23,26)(H,24,27)/t17-,18+/m0/s1
InChIKeyJFSSOZPSNBPBFG-ZWKOTPCHSA-N
XLogP2.92
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2,4-dichlorobenzamide (CID 129206716) is N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2,4-dichlorobenzamide is CCO[C@H](CNC(=O)c1ccc(Cl)cc1Cl)[C@@H](O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2,4-dichlorobenzamide?
The InChIKey is JFSSOZPSNBPBFG-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H22Cl2N2O4/c1-2-28-18(12-24-20(27)15-9-8-14(21)10-16(15)22)17(25)11-23-19(26)13-6-4-3-5-7-13/h3-10,17-18,25H,2,11-12H2,1H3,(H,23,26)(H,24,27)/t17-,18+/m0/s1.
What are the key properties of N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2,4-dichlorobenzamide?
N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2,4-dichlorobenzamide has a molecular weight of 425.31 g/mol, XLogP of 2.92, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 129206716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).