N-benzyl-3-(3,5-dichlorophenyl)-N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]propanamide

C23H25Cl2N3O2 — CID 166223451

IUPACN-benzyl-3-(3,5-dichlorophenyl)-N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]propanamide
SMILESCCn1cc(C(O)CN(Cc2ccccc2)C(=O)CCc2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C23H25Cl2N3O2/c1-2-28-15-19(13-26-28)22(29)16-27(14-17-6-4-3-5-7-17)23(30)9-8-18-10-20(24)12-21(25)11-18/h3-7,10-13,15,22,29H,2,8-9,14,16H2,1H3
InChIKeyKYITWJQDIWUYKH-UHFFFAOYSA-N
MW446.38 g/mol
LogP4.90
Rot. Bonds9

About N-benzyl-3-(3,5-dichlorophenyl)-N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]propanamide

N-benzyl-3-(3,5-dichlorophenyl)-N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]propanamide (PubChem CID 166223451) has the molecular formula C23H25Cl2N3O2 and a molecular weight of 446.38 g/mol. Its IUPAC name is N-benzyl-3-(3,5-dichlorophenyl)-N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-(3,5-dichlorophenyl)-N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]propanamide
PubChem CID166223451
Molecular FormulaC23H25Cl2N3O2
Molecular Weight446.38 g/mol
Exact Mass445.13
IUPAC NameN-benzyl-3-(3,5-dichlorophenyl)-N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]propanamide
SMILESCCn1cc(C(O)CN(Cc2ccccc2)C(=O)CCc2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C23H25Cl2N3O2/c1-2-28-15-19(13-26-28)22(29)16-27(14-17-6-4-3-5-7-17)23(30)9-8-18-10-20(24)12-21(25)11-18/h3-7,10-13,15,22,29H,2,8-9,14,16H2,1H3
InChIKeyKYITWJQDIWUYKH-UHFFFAOYSA-N
XLogP4.90
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.38
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3,5-dichlorophenyl)-N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]propanamide?
The IUPAC name of N-benzyl-3-(3,5-dichlorophenyl)-N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]propanamide (CID 166223451) is N-benzyl-3-(3,5-dichlorophenyl)-N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]propanamide.
What is the SMILES notation for N-benzyl-3-(3,5-dichlorophenyl)-N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]propanamide?
The canonical SMILES for N-benzyl-3-(3,5-dichlorophenyl)-N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]propanamide is CCn1cc(C(O)CN(Cc2ccccc2)C(=O)CCc2cc(Cl)cc(Cl)c2)cn1.
What is the InChIKey of N-benzyl-3-(3,5-dichlorophenyl)-N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]propanamide?
The InChIKey is KYITWJQDIWUYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O2/c1-2-28-15-19(13-26-28)22(29)16-27(14-17-6-4-3-5-7-17)23(30)9-8-18-10-20(24)12-21(25)11-18/h3-7,10-13,15,22,29H,2,8-9,14,16H2,1H3.
What are the key properties of N-benzyl-3-(3,5-dichlorophenyl)-N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]propanamide?
N-benzyl-3-(3,5-dichlorophenyl)-N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]propanamide has a molecular weight of 446.38 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3,5-dichlorophenyl)-N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]propanamide is sourced from PubChem (CID 166223451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).