N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide

C18H18Cl2N2O2 — CID 162379667

IUPACN-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N(C[C@@H](O)c1cccnc1)C1CC1
InChIInChI=1S/C18H18Cl2N2O2/c19-15-6-3-12(8-16(15)20)9-18(24)22(14-4-5-14)11-17(23)13-2-1-7-21-10-13/h1-3,6-8,10,14,17,23H,4-5,9,11H2/t17-/m1/s1
InChIKeyDRSDOJRPTMZPRY-QGZVFWFLSA-N
MW365.26 g/mol
LogP3.66
Rot. Bonds6

About N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide

N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide (PubChem CID 162379667) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide
PubChem CID162379667
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC NameN-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N(C[C@@H](O)c1cccnc1)C1CC1
InChIInChI=1S/C18H18Cl2N2O2/c19-15-6-3-12(8-16(15)20)9-18(24)22(14-4-5-14)11-17(23)13-2-1-7-21-10-13/h1-3,6-8,10,14,17,23H,4-5,9,11H2/t17-/m1/s1
InChIKeyDRSDOJRPTMZPRY-QGZVFWFLSA-N
XLogP3.66
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide (CID 162379667) is N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)N(C[C@@H](O)c1cccnc1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide?
The InChIKey is DRSDOJRPTMZPRY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c19-15-6-3-12(8-16(15)20)9-18(24)22(14-4-5-14)11-17(23)13-2-1-7-21-10-13/h1-3,6-8,10,14,17,23H,4-5,9,11H2/t17-/m1/s1.
What are the key properties of N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide?
N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide has a molecular weight of 365.26 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide is sourced from PubChem (CID 162379667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).