2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(1-methylcyclopropyl)acetamide

C19H20Cl2N2O2 — CID 162379646

IUPAC2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(1-methylcyclopropyl)acetamide
SMILESCC1(N(CC(O)c2cccnc2)C(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H20Cl2N2O2/c1-19(6-7-19)23(12-17(24)14-3-2-8-22-11-14)18(25)10-13-4-5-15(20)16(21)9-13/h2-5,8-9,11,17,24H,6-7,10,12H2,1H3
InChIKeyOROOPLCNKUKWIH-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.05
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(1-methylcyclopropyl)acetamide

2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(1-methylcyclopropyl)acetamide (PubChem CID 162379646) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(1-methylcyclopropyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(1-methylcyclopropyl)acetamide
PubChem CID162379646
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(1-methylcyclopropyl)acetamide
SMILESCC1(N(CC(O)c2cccnc2)C(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H20Cl2N2O2/c1-19(6-7-19)23(12-17(24)14-3-2-8-22-11-14)18(25)10-13-4-5-15(20)16(21)9-13/h2-5,8-9,11,17,24H,6-7,10,12H2,1H3
InChIKeyOROOPLCNKUKWIH-UHFFFAOYSA-N
XLogP4.05
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(1-methylcyclopropyl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(1-methylcyclopropyl)acetamide (CID 162379646) is 2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(1-methylcyclopropyl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(1-methylcyclopropyl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(1-methylcyclopropyl)acetamide is CC1(N(CC(O)c2cccnc2)C(=O)Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(1-methylcyclopropyl)acetamide?
The InChIKey is OROOPLCNKUKWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-19(6-7-19)23(12-17(24)14-3-2-8-22-11-14)18(25)10-13-4-5-15(20)16(21)9-13/h2-5,8-9,11,17,24H,6-7,10,12H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(1-methylcyclopropyl)acetamide?
2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(1-methylcyclopropyl)acetamide has a molecular weight of 379.29 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(1-methylcyclopropyl)acetamide is sourced from PubChem (CID 162379646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).