N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)prop-2-enamide

C18H18Cl2N2O2 — CID 169304212

IUPACN-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)prop-2-enamide
SMILESC=CC(=O)N(CCc1ccc(Cl)c(Cl)c1)CC(O)c1cccnc1
InChIInChI=1S/C18H18Cl2N2O2/c1-2-18(24)22(12-17(23)14-4-3-8-21-11-14)9-7-13-5-6-15(19)16(20)10-13/h2-6,8,10-11,17,23H,1,7,9,12H2
InChIKeyHWUJZEQDZCQLGH-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.68
Rot. Bonds7

About N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)prop-2-enamide

N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)prop-2-enamide (PubChem CID 169304212) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)prop-2-enamide
PubChem CID169304212
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC NameN-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)prop-2-enamide
SMILESC=CC(=O)N(CCc1ccc(Cl)c(Cl)c1)CC(O)c1cccnc1
InChIInChI=1S/C18H18Cl2N2O2/c1-2-18(24)22(12-17(23)14-4-3-8-21-11-14)9-7-13-5-6-15(19)16(20)10-13/h2-6,8,10-11,17,23H,1,7,9,12H2
InChIKeyHWUJZEQDZCQLGH-UHFFFAOYSA-N
XLogP3.68
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)ethyl-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid
CID 69102888
2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide
CID 162379709
tert-butyl N-[2-[4-(2-chlorophenyl)phenyl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate
CID 151652416
5,6-dichloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1,3-dihydroisoindole-2-carboxamide
CID 170307810
N-[(3,4-dimethylphenyl)methyl]-N-(2-pyridin-3-ylethyl)prop-2-enamide
CID 154880665
tert-butyl N-[2-[4-(4-formyl-3-phenoxyphenyl)phenyl]ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)carbamate
CID 22171568
N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 154862277
N,N-bis(2-phenylethyl)prop-2-enamide
CID 57066259
1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
CID 55096177
[(2R)-2-(5-chloro-3-pyridinyl)-2-hydroxyethyl]-[2-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69053798
N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 166414550
3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid
CID 82216497

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)prop-2-enamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)prop-2-enamide (CID 169304212) is N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)prop-2-enamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)prop-2-enamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)prop-2-enamide is C=CC(=O)N(CCc1ccc(Cl)c(Cl)c1)CC(O)c1cccnc1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)prop-2-enamide?
The InChIKey is HWUJZEQDZCQLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-2-18(24)22(12-17(23)14-4-3-8-21-11-14)9-7-13-5-6-15(19)16(20)10-13/h2-6,8,10-11,17,23H,1,7,9,12H2.
What are the key properties of N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)prop-2-enamide?
N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)prop-2-enamide has a molecular weight of 365.26 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)prop-2-enamide is sourced from PubChem (CID 169304212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).